smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c(C#N)c(C)[nH+]1 ZINC000156558829 525300751 /nfs/dbraw/zinc/30/07/51/525300751.db2.gz RIFZQUZBGYMFNB-CYBMUJFWSA-N 2 2 272.396 2.856 10 30 CFEELP Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301812279 201212125 /nfs/dbraw/zinc/21/21/25/201212125.db2.gz ZZJJTHYGDVLOKQ-GFCCVEGCSA-N 2 2 272.396 2.714 10 30 CFEELP Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301812279 201212127 /nfs/dbraw/zinc/21/21/27/201212127.db2.gz ZZJJTHYGDVLOKQ-GFCCVEGCSA-N 2 2 272.396 2.714 10 30 CFEELP C[C@@H](C#N)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047979445 373137597 /nfs/dbraw/zinc/13/75/97/373137597.db2.gz QVAPYTRGUDKWED-QWHCGFSZSA-N 2 2 254.337 2.683 10 30 CFEELP C#CC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000037218263 173036706 /nfs/dbraw/zinc/03/67/06/173036706.db2.gz VEFRKJQDBBGEOY-UHFFFAOYSA-N 2 2 276.811 2.570 10 30 CFEELP C=C(Br)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922460 526426649 /nfs/dbraw/zinc/42/66/49/526426649.db2.gz BHDOBVWADXZUHF-LBPRGKRZSA-N 2 2 298.228 2.991 10 30 CFEELP C=C(Br)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922460 526426655 /nfs/dbraw/zinc/42/66/55/526426655.db2.gz BHDOBVWADXZUHF-LBPRGKRZSA-N 2 2 298.228 2.991 10 30 CFEELP C[NH+](C)CCC[NH+]1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219250832 348168380 /nfs/dbraw/zinc/16/83/80/348168380.db2.gz CFOMAWMRBMQPCU-UHFFFAOYSA-N 2 2 285.435 2.787 10 30 CFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000178335853 380438172 /nfs/dbraw/zinc/43/81/72/380438172.db2.gz FGBNTRGOKBQRQN-KRWDZBQOSA-N 2 2 298.365 2.867 10 30 CFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000178335853 380438177 /nfs/dbraw/zinc/43/81/77/380438177.db2.gz FGBNTRGOKBQRQN-KRWDZBQOSA-N 2 2 298.365 2.867 10 30 CFEELP CC[NH+](CC)[C@@H](C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000301791003 382192896 /nfs/dbraw/zinc/19/28/96/382192896.db2.gz QPECHHZLZIIDNN-LBPRGKRZSA-N 2 2 260.385 2.712 10 30 CFEELP [NH3+]CC#Cc1ccsc1Cn1cc[nH+]c1-c1ccccc1 ZINC000043684421 175092573 /nfs/dbraw/zinc/09/25/73/175092573.db2.gz YMWPCXMYBCNHHY-UHFFFAOYSA-N 2 2 293.395 2.970 10 30 CFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000178283867 189103067 /nfs/dbraw/zinc/10/30/67/189103067.db2.gz MUKRTZSJPUSIMA-KRWDZBQOSA-N 2 2 280.375 2.728 10 30 CFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000178283867 189103068 /nfs/dbraw/zinc/10/30/68/189103068.db2.gz MUKRTZSJPUSIMA-KRWDZBQOSA-N 2 2 280.375 2.728 10 30 CFEELP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301754062 201178282 /nfs/dbraw/zinc/17/82/82/201178282.db2.gz CFRAAANHDHLOSM-AWEZNQCLSA-N 2 2 272.396 2.714 10 30 CFEELP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301754062 201178287 /nfs/dbraw/zinc/17/82/87/201178287.db2.gz CFRAAANHDHLOSM-AWEZNQCLSA-N 2 2 272.396 2.714 10 30 CFEELP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301807137 201209956 /nfs/dbraw/zinc/20/99/56/201209956.db2.gz YDOWULLCLJTRKF-UONOGXRCSA-N 2 2 272.396 2.855 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000037231805 173049815 /nfs/dbraw/zinc/04/98/15/173049815.db2.gz JDAITFFSCJEPFK-HNNXBMFYSA-N 2 2 250.430 2.888 10 30 CFEELP N#Cc1csc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812891 375159299 /nfs/dbraw/zinc/15/92/99/375159299.db2.gz TYIWHKUJBBOKDE-ZDUSSCGKSA-N 2 2 298.415 2.949 10 30 CFEELP N#Cc1csc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812891 375159305 /nfs/dbraw/zinc/15/93/05/375159305.db2.gz TYIWHKUJBBOKDE-ZDUSSCGKSA-N 2 2 298.415 2.949 10 30 CFEELP Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C#N)c(C)[nH+]1 ZINC000219877209 393761211 /nfs/dbraw/zinc/76/12/11/393761211.db2.gz UZHNBQCOFLPTOJ-HOCLYGCPSA-N 2 2 270.380 2.609 10 30 CFEELP Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C#N)c(C)[nH+]1 ZINC000219877209 393761212 /nfs/dbraw/zinc/76/12/12/393761212.db2.gz UZHNBQCOFLPTOJ-HOCLYGCPSA-N 2 2 270.380 2.609 10 30 CFEELP Cc1[nH+]c2ccccc2n1Cc1ccc(C#CC[NH3+])s1 ZINC000043684329 175093231 /nfs/dbraw/zinc/09/32/31/175093231.db2.gz DFZCGBUZPREKRG-UHFFFAOYSA-N 2 2 281.384 2.765 10 30 CFEELP CC[N@H+](Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069402045 521294007 /nfs/dbraw/zinc/29/40/07/521294007.db2.gz UVZQYCVXJGTPSQ-SJPCQFCGSA-N 2 2 287.382 2.802 10 30 CFEELP CC[N@@H+](Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069402045 521294012 /nfs/dbraw/zinc/29/40/12/521294012.db2.gz UVZQYCVXJGTPSQ-SJPCQFCGSA-N 2 2 287.382 2.802 10 30 CFEELP C[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181688648 189304350 /nfs/dbraw/zinc/30/43/50/189304350.db2.gz RONMNWSUGRRQHU-GUYCJALGSA-N 2 2 269.392 2.521 10 30 CFEELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000049149434 525597050 /nfs/dbraw/zinc/59/70/50/525597050.db2.gz UBQDXQXHMIQDJW-UONOGXRCSA-N 2 2 257.381 2.693 10 30 CFEELP C=C(Br)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108726 378295423 /nfs/dbraw/zinc/29/54/23/378295423.db2.gz XTVWGUFGOBJWIX-GFCCVEGCSA-N 2 2 296.212 2.724 10 30 CFEELP C=C(Br)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108726 378295424 /nfs/dbraw/zinc/29/54/24/378295424.db2.gz XTVWGUFGOBJWIX-GFCCVEGCSA-N 2 2 296.212 2.724 10 30 CFEELP C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914710 382645043 /nfs/dbraw/zinc/64/50/43/382645043.db2.gz VVDWXBRXRKDZFX-PBHICJAKSA-N 2 2 285.391 2.850 10 30 CFEELP C#CC[NH+]1CCC([NH2+]C[C@H](CC)CCCC)CC1 ZINC000037219530 173036932 /nfs/dbraw/zinc/03/69/32/173036932.db2.gz OYIGFPYKHAMZCK-OAHLLOKOSA-N 2 2 250.430 2.890 10 30 CFEELP C=C(Br)C[N@@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748690 174393677 /nfs/dbraw/zinc/39/36/77/174393677.db2.gz KQTGLWNSEUBKPS-FUNVUKJBSA-N 2 2 287.245 2.890 10 30 CFEELP C=C(Br)C[N@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748690 174393678 /nfs/dbraw/zinc/39/36/78/174393678.db2.gz KQTGLWNSEUBKPS-FUNVUKJBSA-N 2 2 287.245 2.890 10 30 CFEELP Cc1[nH+]c2ccccc2n1Cc1cc(C#CC[NH3+])cs1 ZINC000043689170 175096259 /nfs/dbraw/zinc/09/62/59/175096259.db2.gz DVKDJLPKUNGOOH-UHFFFAOYSA-N 2 2 281.384 2.765 10 30 CFEELP C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893634 327868727 /nfs/dbraw/zinc/86/87/27/327868727.db2.gz DDETZEUOSBLQLS-HUUCEWRRSA-N 2 2 293.374 2.966 10 30 CFEELP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054823664 526249561 /nfs/dbraw/zinc/24/95/61/526249561.db2.gz LRXBNMIULFKZRW-ARFHVFGLSA-N 2 2 263.429 2.923 10 30 CFEELP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054823664 526249566 /nfs/dbraw/zinc/24/95/66/526249566.db2.gz LRXBNMIULFKZRW-ARFHVFGLSA-N 2 2 263.429 2.923 10 30 CFEELP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000301810342 201213283 /nfs/dbraw/zinc/21/32/83/201213283.db2.gz ZDBNYMBBQOMEAT-AWEZNQCLSA-N 2 2 274.412 2.958 10 30 CFEELP N#Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000128259620 377328260 /nfs/dbraw/zinc/32/82/60/377328260.db2.gz WZGLMXUDJUNJRG-ZDUSSCGKSA-N 2 2 298.415 2.949 10 30 CFEELP N#Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000128259620 377328270 /nfs/dbraw/zinc/32/82/70/377328270.db2.gz WZGLMXUDJUNJRG-ZDUSSCGKSA-N 2 2 298.415 2.949 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000037220909 173039087 /nfs/dbraw/zinc/03/90/87/173039087.db2.gz LUQAKGFDXKVXCT-OAHLLOKOSA-N 2 2 256.393 2.743 10 30 CFEELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000195254423 262248617 /nfs/dbraw/zinc/24/86/17/262248617.db2.gz AUYNKQCJFXRXCA-AWEZNQCLSA-N 2 2 292.452 2.509 10 30 CFEELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000195254423 262248619 /nfs/dbraw/zinc/24/86/19/262248619.db2.gz AUYNKQCJFXRXCA-AWEZNQCLSA-N 2 2 292.452 2.509 10 30 CFEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000195254423 262248620 /nfs/dbraw/zinc/24/86/20/262248620.db2.gz AUYNKQCJFXRXCA-AWEZNQCLSA-N 2 2 292.452 2.509 10 30 CFEELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000195254423 262248621 /nfs/dbraw/zinc/24/86/21/262248621.db2.gz AUYNKQCJFXRXCA-AWEZNQCLSA-N 2 2 292.452 2.509 10 30 CFEELP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000301791002 276118312 /nfs/dbraw/zinc/11/83/12/276118312.db2.gz QPECHHZLZIIDNN-GFCCVEGCSA-N 2 2 260.385 2.712 10 30 CFEELP C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893605 327868797 /nfs/dbraw/zinc/86/87/97/327868797.db2.gz DDETZEUOSBLQLS-CABCVRRESA-N 2 2 293.374 2.966 10 30 CFEELP C[C@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181688683 189304238 /nfs/dbraw/zinc/30/42/38/189304238.db2.gz RONMNWSUGRRQHU-SUMWQHHRSA-N 2 2 269.392 2.521 10 30 CFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000180133975 380623777 /nfs/dbraw/zinc/62/37/77/380623777.db2.gz UBCXBKHRBATYNW-HNNXBMFYSA-N 2 2 274.412 2.986 10 30 CFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000180133975 380623781 /nfs/dbraw/zinc/62/37/81/380623781.db2.gz UBCXBKHRBATYNW-HNNXBMFYSA-N 2 2 274.412 2.986 10 30 CFEELP Cc1cc(N2CCC([NH+]3CCCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301668736 274703557 /nfs/dbraw/zinc/70/35/57/274703557.db2.gz MWBPLOHOUOQKTA-UHFFFAOYSA-N 2 2 284.407 2.635 10 30 CFEELP Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(C#N)c(C)[nH+]1 ZINC000156578820 525273013 /nfs/dbraw/zinc/27/30/13/525273013.db2.gz DBSHSBLOSASGMK-GFCCVEGCSA-N 2 2 272.396 2.714 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000178319796 189106657 /nfs/dbraw/zinc/10/66/57/189106657.db2.gz USPAQYGLUAKIOW-QGZVFWFLSA-N 2 2 280.375 2.728 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000178319796 189106658 /nfs/dbraw/zinc/10/66/58/189106658.db2.gz USPAQYGLUAKIOW-QGZVFWFLSA-N 2 2 280.375 2.728 10 30 CFEELP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301807138 201209471 /nfs/dbraw/zinc/20/94/71/201209471.db2.gz YDOWULLCLJTRKF-ZIAGYGMSSA-N 2 2 272.396 2.855 10 30 CFEELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049195624 519793859 /nfs/dbraw/zinc/79/38/59/519793859.db2.gz GTHQDPJLCYAHFQ-XJKSGUPXSA-N 2 2 259.397 2.795 10 30 CFEELP C=CC[NH+](CC=C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052376518 518770462 /nfs/dbraw/zinc/77/04/62/518770462.db2.gz XCXAQBTZJGPKLY-UHFFFAOYSA-N 2 2 263.385 2.594 10 30 CFEELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000049151377 525599357 /nfs/dbraw/zinc/59/93/57/525599357.db2.gz GNJTUJIOCZMSMK-UONOGXRCSA-N 2 2 257.381 2.693 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000040518295 174308042 /nfs/dbraw/zinc/30/80/42/174308042.db2.gz ZUWFJFXMLXUWRU-LBPRGKRZSA-N 2 2 277.437 2.508 10 30 CFEELP C=CCOc1ccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197057 519035628 /nfs/dbraw/zinc/03/56/28/519035628.db2.gz UCVRFHUNHLRIJP-KRWDZBQOSA-N 2 2 276.424 2.927 10 30 CFEELP [NH3+]CC#Cc1cc(C[NH+]2Cc3ccccc3C2)ccc1F ZINC000050911918 527147234 /nfs/dbraw/zinc/14/72/34/527147234.db2.gz DFFYZTGLZHGTDM-UHFFFAOYSA-N 2 2 280.346 2.652 10 30 CFEELP Cc1cc(NCCC[NH+]2CCCCC2)c(C#N)c(C)[nH+]1 ZINC000301754120 201178012 /nfs/dbraw/zinc/17/80/12/201178012.db2.gz CJIYIBLXPJCOCN-UHFFFAOYSA-N 2 2 272.396 2.858 10 30 CFEELP Cc1[nH+]ccn1CCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000120176763 376559824 /nfs/dbraw/zinc/55/98/24/376559824.db2.gz MNIKIMCAOKISLM-UHFFFAOYSA-N 2 2 283.379 2.602 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000037217384 173036042 /nfs/dbraw/zinc/03/60/42/173036042.db2.gz TVNDNBAREXQNNN-CYBMUJFWSA-N 2 2 260.356 2.574 10 30 CFEELP C#CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000037243248 173058317 /nfs/dbraw/zinc/05/83/17/173058317.db2.gz KWDQQNOYOPIYRN-UHFFFAOYSA-N 2 2 262.784 2.527 10 30 CFEELP CCC[NH+]1CCC(Nc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000156561562 519847433 /nfs/dbraw/zinc/84/74/33/519847433.db2.gz PXDDSKZVLPPATJ-UHFFFAOYSA-N 2 2 272.396 2.856 10 30 CFEELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000049151380 524318186 /nfs/dbraw/zinc/31/81/86/524318186.db2.gz GNJTUJIOCZMSMK-ZIAGYGMSSA-N 2 2 257.381 2.693 10 30 CFEELP Cc1occc1C[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609919 526823977 /nfs/dbraw/zinc/82/39/77/526823977.db2.gz CFQKZXMXDMTRGU-UHFFFAOYSA-N 2 2 286.350 2.669 10 30 CFEELP Cc1occc1C[N@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609919 526823984 /nfs/dbraw/zinc/82/39/84/526823984.db2.gz CFQKZXMXDMTRGU-UHFFFAOYSA-N 2 2 286.350 2.669 10 30 CFEELP C=C(Cl)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922684 526886648 /nfs/dbraw/zinc/88/66/48/526886648.db2.gz JRFUTXKBLOTCEZ-LBPRGKRZSA-N 2 2 253.777 2.835 10 30 CFEELP C=C(Cl)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922684 526886652 /nfs/dbraw/zinc/88/66/52/526886652.db2.gz JRFUTXKBLOTCEZ-LBPRGKRZSA-N 2 2 253.777 2.835 10 30 CFEELP CC[C@@H](CNc1cc(C)[nH+]c(C)c1C#N)[NH+]1CCCC1 ZINC000301799208 201204845 /nfs/dbraw/zinc/20/48/45/201204845.db2.gz VEDSEPQGLUKVBF-AWEZNQCLSA-N 2 2 272.396 2.856 10 30 CFEELP N#CCCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171037692 379214817 /nfs/dbraw/zinc/21/48/17/379214817.db2.gz SYHCHSYEIFHGHG-CQSZACIVSA-N 2 2 258.369 2.509 10 30 CFEELP N#CCCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171037692 379214824 /nfs/dbraw/zinc/21/48/24/379214824.db2.gz SYHCHSYEIFHGHG-CQSZACIVSA-N 2 2 258.369 2.509 10 30 CFEELP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000227593506 382838101 /nfs/dbraw/zinc/83/81/01/382838101.db2.gz CQCVJEUBPIQBDZ-LBPRGKRZSA-N 2 2 260.385 2.712 10 30 CFEELP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000227593506 382838102 /nfs/dbraw/zinc/83/81/02/382838102.db2.gz CQCVJEUBPIQBDZ-LBPRGKRZSA-N 2 2 260.385 2.712 10 30 CFEELP C(#Cc1ccccc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000192034286 130355575 /nfs/dbraw/zinc/35/55/75/130355575.db2.gz VNGHTZLQOFMVRN-GOSISDBHSA-N 2 2 291.398 2.867 10 30 CFEELP C(#Cc1ccccc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000192034286 130355578 /nfs/dbraw/zinc/35/55/78/130355578.db2.gz VNGHTZLQOFMVRN-GOSISDBHSA-N 2 2 291.398 2.867 10 30 CFEELP Cc1cc(N2CC[NH+](C3CCCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000133753950 274706576 /nfs/dbraw/zinc/70/65/76/274706576.db2.gz PGAMOZCWZAODPO-UHFFFAOYSA-N 2 2 284.407 2.635 10 30 CFEELP 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CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000301754063 201178679 /nfs/dbraw/zinc/17/86/79/201178679.db2.gz CFRAAANHDHLOSM-CQSZACIVSA-N 2 2 272.396 2.714 10 30 CFEELP Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301812281 201212523 /nfs/dbraw/zinc/21/25/23/201212523.db2.gz ZZJJTHYGDVLOKQ-LBPRGKRZSA-N 2 2 272.396 2.714 10 30 CFEELP Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301812281 201212527 /nfs/dbraw/zinc/21/25/27/201212527.db2.gz ZZJJTHYGDVLOKQ-LBPRGKRZSA-N 2 2 272.396 2.714 10 30 CFEELP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893618 382644313 /nfs/dbraw/zinc/64/43/13/382644313.db2.gz DDETZEUOSBLQLS-LSDHHAIUSA-N 2 2 293.374 2.966 10 30 CFEELP C#CC[NH+]1CCC([NH2+]C[C@@H](CC)CCCC)CC1 ZINC000037219531 173036860 /nfs/dbraw/zinc/03/68/60/173036860.db2.gz OYIGFPYKHAMZCK-HNNXBMFYSA-N 2 2 250.430 2.890 10 30 CFEELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000045135231 175312640 /nfs/dbraw/zinc/31/26/40/175312640.db2.gz 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ZINC000122876513 187056973 /nfs/dbraw/zinc/05/69/73/187056973.db2.gz SWXQGMPXOLYWIH-CYBMUJFWSA-N 2 2 284.363 2.747 10 30 CFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000122876513 187056974 /nfs/dbraw/zinc/05/69/74/187056974.db2.gz SWXQGMPXOLYWIH-CYBMUJFWSA-N 2 2 284.363 2.747 10 30 CFEELP C=C(Cl)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115249 378295946 /nfs/dbraw/zinc/29/59/46/378295946.db2.gz OVPFNCMXGRKJKH-CYBMUJFWSA-N 2 2 265.788 2.876 10 30 CFEELP C=C(Cl)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115249 378295957 /nfs/dbraw/zinc/29/59/57/378295957.db2.gz OVPFNCMXGRKJKH-CYBMUJFWSA-N 2 2 265.788 2.876 10 30 CFEELP C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914690 382645170 /nfs/dbraw/zinc/64/51/70/382645170.db2.gz VVDWXBRXRKDZFX-YOEHRIQHSA-N 2 2 285.391 2.850 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000037234868 173053585 /nfs/dbraw/zinc/05/35/85/173053585.db2.gz FHRZIXGVLJUNIL-ZDUSSCGKSA-N 2 2 260.356 2.574 10 30 CFEELP C=C(C)C[N@@H+](CC)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052423155 518599972 /nfs/dbraw/zinc/59/99/72/518599972.db2.gz SIDHLZUVCIYTMQ-UHFFFAOYSA-N 2 2 265.426 2.793 10 30 CFEELP C=C(C)C[N@H+](CC)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052423155 518599977 /nfs/dbraw/zinc/59/99/77/518599977.db2.gz SIDHLZUVCIYTMQ-UHFFFAOYSA-N 2 2 265.426 2.793 10 30 CFEELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049149432 524593404 /nfs/dbraw/zinc/59/34/04/524593404.db2.gz UBQDXQXHMIQDJW-KBPBESRZSA-N 2 2 257.381 2.693 10 30 CFEELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049151371 524596025 /nfs/dbraw/zinc/59/60/25/524596025.db2.gz GNJTUJIOCZMSMK-KBPBESRZSA-N 2 2 257.381 2.693 10 30 CFEELP C=C(Br)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151108801 378296013 /nfs/dbraw/zinc/29/60/13/378296013.db2.gz XTVWGUFGOBJWIX-LBPRGKRZSA-N 2 2 296.212 2.724 10 30 CFEELP C=C(Br)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151108801 378296021 /nfs/dbraw/zinc/29/60/21/378296021.db2.gz XTVWGUFGOBJWIX-LBPRGKRZSA-N 2 2 296.212 2.724 10 30 CFEELP N#CCCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171037687 379215212 /nfs/dbraw/zinc/21/52/12/379215212.db2.gz SYHCHSYEIFHGHG-AWEZNQCLSA-N 2 2 258.369 2.509 10 30 CFEELP N#CCCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171037687 379215223 /nfs/dbraw/zinc/21/52/23/379215223.db2.gz SYHCHSYEIFHGHG-AWEZNQCLSA-N 2 2 258.369 2.509 10 30 CFEELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185820473 329329764 /nfs/dbraw/zinc/32/97/64/329329764.db2.gz NASVCNGCKHEXHE-SOUVJXGZSA-N 2 2 251.418 2.635 10 30 CFEELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248835580 329900384 /nfs/dbraw/zinc/90/03/84/329900384.db2.gz NASVCNGCKHEXHE-RBSFLKMASA-N 2 2 251.418 2.635 10 30 CFEELP C=CC[NH+](CC=C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052376516 518770623 /nfs/dbraw/zinc/77/06/23/518770623.db2.gz LPZXMCQTQLDLJX-UHFFFAOYSA-N 2 2 263.385 2.737 10 30 CFEELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049195633 519814753 /nfs/dbraw/zinc/81/47/53/519814753.db2.gz GTHQDPJLCYAHFQ-CJNGLKHVSA-N 2 2 259.397 2.795 10 30 CFEELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049195627 519814820 /nfs/dbraw/zinc/81/48/20/519814820.db2.gz GTHQDPJLCYAHFQ-BBRMVZONSA-N 2 2 259.397 2.795 10 30 CFEELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049151374 524319583 /nfs/dbraw/zinc/31/95/83/524319583.db2.gz GNJTUJIOCZMSMK-KGLIPLIRSA-N 2 2 257.381 2.693 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000178283881 189103295 /nfs/dbraw/zinc/10/32/95/189103295.db2.gz MUKRTZSJPUSIMA-QGZVFWFLSA-N 2 2 280.375 2.728 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000178283881 189103296 /nfs/dbraw/zinc/10/32/96/189103296.db2.gz MUKRTZSJPUSIMA-QGZVFWFLSA-N 2 2 280.375 2.728 10 30 CFEELP N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000128259840 377327879 /nfs/dbraw/zinc/32/78/79/377327879.db2.gz WZGLMXUDJUNJRG-CYBMUJFWSA-N 2 2 298.415 2.949 10 30 CFEELP N#Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000128259840 377327893 /nfs/dbraw/zinc/32/78/93/377327893.db2.gz WZGLMXUDJUNJRG-CYBMUJFWSA-N 2 2 298.415 2.949 10 30 CFEELP Cc1cc(NCCc2cn3c([nH+]2)CCCC3)c(C#N)c(C)[nH+]1 ZINC000160479360 378776055 /nfs/dbraw/zinc/77/60/55/378776055.db2.gz LZCDIJWEQBWJPS-UHFFFAOYSA-N 2 2 295.390 2.758 10 30 CFEELP Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C#N)c(C)[nH+]1 ZINC000219877162 393760808 /nfs/dbraw/zinc/76/08/08/393760808.db2.gz UZHNBQCOFLPTOJ-ZBFHGGJFSA-N 2 2 270.380 2.609 10 30 CFEELP Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C#N)c(C)[nH+]1 ZINC000219877162 393760810 /nfs/dbraw/zinc/76/08/10/393760810.db2.gz UZHNBQCOFLPTOJ-ZBFHGGJFSA-N 2 2 270.380 2.609 10 30 CFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173888058 394376935 /nfs/dbraw/zinc/37/69/35/394376935.db2.gz MQIGAJUHKRPVPG-AWEZNQCLSA-N 2 2 292.452 2.729 10 30 CFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000173888058 394376936 /nfs/dbraw/zinc/37/69/36/394376936.db2.gz MQIGAJUHKRPVPG-AWEZNQCLSA-N 2 2 292.452 2.729 10 30 CFEELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248835579 329900387 /nfs/dbraw/zinc/90/03/87/329900387.db2.gz NASVCNGCKHEXHE-QLFBSQMISA-N 2 2 251.418 2.635 10 30 CFEELP C=CCOc1ccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197054 519036731 /nfs/dbraw/zinc/03/67/31/519036731.db2.gz UCVRFHUNHLRIJP-QGZVFWFLSA-N 2 2 276.424 2.927 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000180133989 380624814 /nfs/dbraw/zinc/62/48/14/380624814.db2.gz UBCXBKHRBATYNW-OAHLLOKOSA-N 2 2 274.412 2.986 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000180133989 380624819 /nfs/dbraw/zinc/62/48/19/380624819.db2.gz UBCXBKHRBATYNW-OAHLLOKOSA-N 2 2 274.412 2.986 10 30 CFEELP C#CC[NH+]1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000045041418 175295139 /nfs/dbraw/zinc/29/51/39/175295139.db2.gz RWZNTQHYFRINRR-UHFFFAOYSA-N 2 2 270.420 2.997 10 30 CFEELP CC[C@H]1CC[C@H](C#N)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189145 176064356 /nfs/dbraw/zinc/06/43/56/176064356.db2.gz XDFULRVCJYVIPU-ZJIFWQFVSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@H]1CC[C@H](C#N)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189145 176064357 /nfs/dbraw/zinc/06/43/57/176064357.db2.gz XDFULRVCJYVIPU-ZJIFWQFVSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@H]1CC[C@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189145 176064358 /nfs/dbraw/zinc/06/43/58/176064358.db2.gz XDFULRVCJYVIPU-ZJIFWQFVSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@H]1CC[C@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189145 176064359 /nfs/dbraw/zinc/06/43/59/176064359.db2.gz XDFULRVCJYVIPU-ZJIFWQFVSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189144 176064845 /nfs/dbraw/zinc/06/48/45/176064845.db2.gz XDFULRVCJYVIPU-KLHDSHLOSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189144 176064846 /nfs/dbraw/zinc/06/48/46/176064846.db2.gz XDFULRVCJYVIPU-KLHDSHLOSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189144 176064848 /nfs/dbraw/zinc/06/48/48/176064848.db2.gz XDFULRVCJYVIPU-KLHDSHLOSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189144 176064849 /nfs/dbraw/zinc/06/48/49/176064849.db2.gz XDFULRVCJYVIPU-KLHDSHLOSA-N 2 2 263.429 2.588 10 30 CFEELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000195254437 262248823 /nfs/dbraw/zinc/24/88/23/262248823.db2.gz AUYNKQCJFXRXCA-CQSZACIVSA-N 2 2 292.452 2.509 10 30 CFEELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000195254437 262248824 /nfs/dbraw/zinc/24/88/24/262248824.db2.gz AUYNKQCJFXRXCA-CQSZACIVSA-N 2 2 292.452 2.509 10 30 CFEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000195254437 262248825 /nfs/dbraw/zinc/24/88/25/262248825.db2.gz AUYNKQCJFXRXCA-CQSZACIVSA-N 2 2 292.452 2.509 10 30 CFEELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000195254437 262248827 /nfs/dbraw/zinc/24/88/27/262248827.db2.gz AUYNKQCJFXRXCA-CQSZACIVSA-N 2 2 292.452 2.509 10 30 CFEELP CC[NH+](CC)CCCNc1cc(C)[nH+]c(C)c1C#N ZINC000127342724 187298197 /nfs/dbraw/zinc/29/81/97/187298197.db2.gz OTTPHINKXIVRTD-UHFFFAOYSA-N 2 2 260.385 2.714 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000037220911 173039472 /nfs/dbraw/zinc/03/94/72/173039472.db2.gz LUQAKGFDXKVXCT-HNNXBMFYSA-N 2 2 256.393 2.743 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000040518294 174307794 /nfs/dbraw/zinc/30/77/94/174307794.db2.gz ZUWFJFXMLXUWRU-GFCCVEGCSA-N 2 2 277.437 2.508 10 30 CFEELP Cc1ccc(C[N@@H+](C)Cc2ccc(C#CC[NH3+])cc2F)o1 ZINC000049609111 524394708 /nfs/dbraw/zinc/39/47/08/524394708.db2.gz ODQDCQCQBUJZKK-UHFFFAOYSA-N 2 2 286.350 2.669 10 30 CFEELP Cc1ccc(C[N@H+](C)Cc2ccc(C#CC[NH3+])cc2F)o1 ZINC000049609111 524394718 /nfs/dbraw/zinc/39/47/18/524394718.db2.gz ODQDCQCQBUJZKK-UHFFFAOYSA-N 2 2 286.350 2.669 10 30 CFEELP C[C@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390870223 348543616 /nfs/dbraw/zinc/54/36/16/348543616.db2.gz RBFXVABWSINLHF-CCNLRDMRSA-N 2 2 283.419 2.931 10 30 CFEELP C[C@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390870223 348543621 /nfs/dbraw/zinc/54/36/21/348543621.db2.gz RBFXVABWSINLHF-CCNLRDMRSA-N 2 2 283.419 2.931 10 30 CFEELP N#C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000054823756 373530945 /nfs/dbraw/zinc/53/09/45/373530945.db2.gz SGNKNIVNFUOYSA-AEFFLSMTSA-N 2 2 283.419 2.933 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000178335865 380438270 /nfs/dbraw/zinc/43/82/70/380438270.db2.gz FGBNTRGOKBQRQN-QGZVFWFLSA-N 2 2 298.365 2.867 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000178335865 380438277 /nfs/dbraw/zinc/43/82/77/380438277.db2.gz FGBNTRGOKBQRQN-QGZVFWFLSA-N 2 2 298.365 2.867 10 30 CFEELP CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189146 176064507 /nfs/dbraw/zinc/06/45/07/176064507.db2.gz XDFULRVCJYVIPU-LVQVYYBASA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189146 176064509 /nfs/dbraw/zinc/06/45/09/176064509.db2.gz XDFULRVCJYVIPU-LVQVYYBASA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189146 176064512 /nfs/dbraw/zinc/06/45/12/176064512.db2.gz XDFULRVCJYVIPU-LVQVYYBASA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189146 176064513 /nfs/dbraw/zinc/06/45/13/176064513.db2.gz XDFULRVCJYVIPU-LVQVYYBASA-N 2 2 263.429 2.588 10 30 CFEELP N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069402013 526640582 /nfs/dbraw/zinc/64/05/82/526640582.db2.gz KORHWFAGGMTOGO-PBHICJAKSA-N 2 2 287.382 2.661 10 30 CFEELP N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069402013 526640588 /nfs/dbraw/zinc/64/05/88/526640588.db2.gz KORHWFAGGMTOGO-PBHICJAKSA-N 2 2 287.382 2.661 10 30 CFEELP CC[C@H](CNc1cc(C)[nH+]c(C)c1C#N)[NH+]1CCCC1 ZINC000301799209 201202973 /nfs/dbraw/zinc/20/29/73/201202973.db2.gz VEDSEPQGLUKVBF-CQSZACIVSA-N 2 2 272.396 2.856 10 30 CFEELP N#C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000054823757 373529351 /nfs/dbraw/zinc/52/93/51/373529351.db2.gz SGNKNIVNFUOYSA-FUHWJXTLSA-N 2 2 283.419 2.933 10 30 CFEELP N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000061892251 373738583 /nfs/dbraw/zinc/73/85/83/373738583.db2.gz AGHDRKWYESYZEP-ZBFHGGJFSA-N 2 2 266.348 2.654 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000037234870 173053018 /nfs/dbraw/zinc/05/30/18/173053018.db2.gz FHRZIXGVLJUNIL-CYBMUJFWSA-N 2 2 260.356 2.574 10 30 CFEELP CC[N@H+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748319 174393236 /nfs/dbraw/zinc/39/32/36/174393236.db2.gz VBHUQRUPEJZELI-XYPWUTKMSA-N 2 2 287.382 2.802 10 30 CFEELP CC[N@@H+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748319 174393237 /nfs/dbraw/zinc/39/32/37/174393237.db2.gz VBHUQRUPEJZELI-XYPWUTKMSA-N 2 2 287.382 2.802 10 30 CFEELP CC[C@H]1CC[C@@H](C#N)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189147 176064787 /nfs/dbraw/zinc/06/47/87/176064787.db2.gz XDFULRVCJYVIPU-XUWVNRHRSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071189147 176064788 /nfs/dbraw/zinc/06/47/88/176064788.db2.gz XDFULRVCJYVIPU-XUWVNRHRSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@H]1CC[C@@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189147 176064789 /nfs/dbraw/zinc/06/47/89/176064789.db2.gz XDFULRVCJYVIPU-XUWVNRHRSA-N 2 2 263.429 2.588 10 30 CFEELP CC[C@H]1CC[C@@H](C#N)[C@H]([NH+](C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000071189147 176064791 /nfs/dbraw/zinc/06/47/91/176064791.db2.gz XDFULRVCJYVIPU-XUWVNRHRSA-N 2 2 263.429 2.588 10 30 CFEELP Cc1cc(NCC[N@@H+](C)C2CCCC2)c(C#N)c(C)[nH+]1 ZINC000156581580 525270308 /nfs/dbraw/zinc/27/03/08/525270308.db2.gz XARHOGCOFDWADN-UHFFFAOYSA-N 2 2 272.396 2.856 10 30 CFEELP Cc1cc(NCC[N@H+](C)C2CCCC2)c(C#N)c(C)[nH+]1 ZINC000156581580 525270311 /nfs/dbraw/zinc/27/03/11/525270311.db2.gz XARHOGCOFDWADN-UHFFFAOYSA-N 2 2 272.396 2.856 10 30 CFEELP Cc1[nH+]c2ccccc2n1Cc1ccc(C#CC[NH3+])cc1 ZINC000049610028 527171832 /nfs/dbraw/zinc/17/18/32/527171832.db2.gz FHEVOLOFCFUJRP-UHFFFAOYSA-N 2 2 275.355 2.703 10 30 CFEELP C[C@@H](C#N)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047979441 373137495 /nfs/dbraw/zinc/13/74/95/373137495.db2.gz QVAPYTRGUDKWED-STQMWFEESA-N 2 2 254.337 2.683 10 30 CFEELP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000227593503 382838029 /nfs/dbraw/zinc/83/80/29/382838029.db2.gz CQCVJEUBPIQBDZ-GFCCVEGCSA-N 2 2 260.385 2.712 10 30 CFEELP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000227593503 382838031 /nfs/dbraw/zinc/83/80/31/382838031.db2.gz CQCVJEUBPIQBDZ-GFCCVEGCSA-N 2 2 260.385 2.712 10 30 CFEELP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000045135230 175312879 /nfs/dbraw/zinc/31/28/79/175312879.db2.gz QOWJVPCGTVTHRW-CQSZACIVSA-N 2 2 275.371 2.517 10 30 CFEELP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000045135230 175312880 /nfs/dbraw/zinc/31/28/80/175312880.db2.gz QOWJVPCGTVTHRW-CQSZACIVSA-N 2 2 275.371 2.517 10 30 CFEELP C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893587 327868788 /nfs/dbraw/zinc/86/87/88/327868788.db2.gz DDETZEUOSBLQLS-GJZGRUSLSA-N 2 2 293.374 2.966 10 30 CFEELP N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069402009 526640909 /nfs/dbraw/zinc/64/09/09/526640909.db2.gz KORHWFAGGMTOGO-YOEHRIQHSA-N 2 2 287.382 2.661 10 30 CFEELP N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069402009 526640915 /nfs/dbraw/zinc/64/09/15/526640915.db2.gz KORHWFAGGMTOGO-YOEHRIQHSA-N 2 2 287.382 2.661 10 30 CFEELP C=C(Cl)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922680 526886545 /nfs/dbraw/zinc/88/65/45/526886545.db2.gz JRFUTXKBLOTCEZ-GFCCVEGCSA-N 2 2 253.777 2.835 10 30 CFEELP C=C(Cl)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922680 526886548 /nfs/dbraw/zinc/88/65/48/526886548.db2.gz JRFUTXKBLOTCEZ-GFCCVEGCSA-N 2 2 253.777 2.835 10 30 CFEELP N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000061892252 373738794 /nfs/dbraw/zinc/73/87/94/373738794.db2.gz AGHDRKWYESYZEP-GOEBONIOSA-N 2 2 266.348 2.654 10 30 CFEELP C=C(Cl)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115212 378296366 /nfs/dbraw/zinc/29/63/66/378296366.db2.gz OVPFNCMXGRKJKH-ZDUSSCGKSA-N 2 2 265.788 2.876 10 30 CFEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115212 378296371 /nfs/dbraw/zinc/29/63/71/378296371.db2.gz OVPFNCMXGRKJKH-ZDUSSCGKSA-N 2 2 265.788 2.876 10 30 CFEELP C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181688626 380864277 /nfs/dbraw/zinc/86/42/77/380864277.db2.gz RONMNWSUGRRQHU-DYVFJYSZSA-N 2 2 269.392 2.521 10 30 CFEELP C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181688668 380866009 /nfs/dbraw/zinc/86/60/09/380866009.db2.gz RONMNWSUGRRQHU-CXAGYDPISA-N 2 2 269.392 2.521 10 30 CFEELP Cc1cc(N2CC[NH+](CCC(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301758670 382190784 /nfs/dbraw/zinc/19/07/84/382190784.db2.gz FHNHRAVKASDIST-UHFFFAOYSA-N 2 2 286.423 2.738 10 30 CFEELP C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914656 382645157 /nfs/dbraw/zinc/64/51/57/382645157.db2.gz VVDWXBRXRKDZFX-WMLDXEAASA-N 2 2 285.391 2.850 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000037217383 173036048 /nfs/dbraw/zinc/03/60/48/173036048.db2.gz TVNDNBAREXQNNN-ZDUSSCGKSA-N 2 2 260.356 2.574 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](CC)c2cccs2)CC1 ZINC000049529512 518268405 /nfs/dbraw/zinc/26/84/05/518268405.db2.gz KFDGLHZHFHCWQE-AWEZNQCLSA-N 2 2 262.422 2.886 10 30 CFEELP Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(C#N)c(C)[nH+]1 ZINC000156558694 525290398 /nfs/dbraw/zinc/29/03/98/525290398.db2.gz RIFZQUZBGYMFNB-ZDUSSCGKSA-N 2 2 272.396 2.856 10 30 CFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000122876709 187057341 /nfs/dbraw/zinc/05/73/41/187057341.db2.gz SWXQGMPXOLYWIH-ZDUSSCGKSA-N 2 2 284.363 2.747 10 30 CFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000122876709 187057342 /nfs/dbraw/zinc/05/73/42/187057342.db2.gz SWXQGMPXOLYWIH-ZDUSSCGKSA-N 2 2 284.363 2.747 10 30 CFEELP C=C(Br)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178303274 189104453 /nfs/dbraw/zinc/10/44/53/189104453.db2.gz VNRVDSYKPCBQOY-GFCCVEGCSA-N 2 2 284.201 2.565 10 30 CFEELP C=C(Br)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178303274 189104454 /nfs/dbraw/zinc/10/44/54/189104454.db2.gz VNRVDSYKPCBQOY-GFCCVEGCSA-N 2 2 284.201 2.565 10 30 CFEELP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301807135 201211130 /nfs/dbraw/zinc/21/11/30/201211130.db2.gz YDOWULLCLJTRKF-KBPBESRZSA-N 2 2 272.396 2.855 10 30 CFEELP Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C#N)c(C)[nH+]1 ZINC000156563096 525304456 /nfs/dbraw/zinc/30/44/56/525304456.db2.gz UZHNBQCOFLPTOJ-GOEBONIOSA-N 2 2 270.380 2.609 10 30 CFEELP Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C#N)c(C)[nH+]1 ZINC000156563096 525304462 /nfs/dbraw/zinc/30/44/62/525304462.db2.gz UZHNBQCOFLPTOJ-GOEBONIOSA-N 2 2 270.380 2.609 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000178293032 189104186 /nfs/dbraw/zinc/10/41/86/189104186.db2.gz CNNODTQEYPRGAR-QGZVFWFLSA-N 2 2 280.375 2.728 10 30 CFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000178293032 189104187 /nfs/dbraw/zinc/10/41/87/189104187.db2.gz CNNODTQEYPRGAR-QGZVFWFLSA-N 2 2 280.375 2.728 10 30 CFEELP Cc1cc(NCC[N@H+]2CCCC[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000301797338 201204727 /nfs/dbraw/zinc/20/47/27/201204727.db2.gz UIXSJMGRGZOUTE-CYBMUJFWSA-N 2 2 272.396 2.856 10 30 CFEELP Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000301797338 201204729 /nfs/dbraw/zinc/20/47/29/201204729.db2.gz UIXSJMGRGZOUTE-CYBMUJFWSA-N 2 2 272.396 2.856 10 30 CFEELP C=C(Cl)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000037489043 173230658 /nfs/dbraw/zinc/23/06/58/173230658.db2.gz YFDVININMRKYBQ-UHFFFAOYSA-N 2 2 252.789 2.851 10 30 CFEELP C=C(Cl)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000037489043 173230659 /nfs/dbraw/zinc/23/06/59/173230659.db2.gz YFDVININMRKYBQ-UHFFFAOYSA-N 2 2 252.789 2.851 10 30 CFEELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185820437 329329900 /nfs/dbraw/zinc/32/99/00/329329900.db2.gz NASVCNGCKHEXHE-RRFJBIMHSA-N 2 2 251.418 2.635 10 30 CFEELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049195630 519793877 /nfs/dbraw/zinc/79/38/77/519793877.db2.gz GTHQDPJLCYAHFQ-CZUORRHYSA-N 2 2 259.397 2.795 10 30 CFEELP C[N@H+](CCC[NH2+][C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000054825722 522773632 /nfs/dbraw/zinc/77/36/32/522773632.db2.gz AXYWQUUMVNHORK-ZBFHGGJFSA-N 2 2 263.429 2.923 10 30 CFEELP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000054825722 522773637 /nfs/dbraw/zinc/77/36/37/522773637.db2.gz AXYWQUUMVNHORK-ZBFHGGJFSA-N 2 2 263.429 2.923 10 30 CFEELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054823663 524106476 /nfs/dbraw/zinc/10/64/76/524106476.db2.gz LRXBNMIULFKZRW-BZUAXINKSA-N 2 2 263.429 2.923 10 30 CFEELP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054823663 524106484 /nfs/dbraw/zinc/10/64/84/524106484.db2.gz LRXBNMIULFKZRW-BZUAXINKSA-N 2 2 263.429 2.923 10 30 CFEELP N/C(CCC[NH+]1CCC2(CCCCC2)CC1)=[NH+]\O ZINC000061820203 526811768 /nfs/dbraw/zinc/81/17/68/526811768.db2.gz MZGGSYAKVABCCK-UHFFFAOYSA-N 2 2 253.390 2.559 10 30 CFEELP C[C@@H]([NH2+]C[C@H](C)C#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047979443 373136898 /nfs/dbraw/zinc/13/68/98/373136898.db2.gz QVAPYTRGUDKWED-CHWSQXEVSA-N 2 2 254.337 2.683 10 30 CFEELP Cc1cc(NCC[NH+]2CCCCCC2)c(C#N)c(C)[nH+]1 ZINC000133754593 377955597 /nfs/dbraw/zinc/95/55/97/377955597.db2.gz HUQPMSKFCMPNRZ-UHFFFAOYSA-N 2 2 272.396 2.858 10 30 CFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000247182881 383150891 /nfs/dbraw/zinc/15/08/91/383150891.db2.gz NTGOABVZYHBNKW-HUUCEWRRSA-N 2 2 285.395 2.526 10 30 CFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000247182881 383150895 /nfs/dbraw/zinc/15/08/95/383150895.db2.gz NTGOABVZYHBNKW-HUUCEWRRSA-N 2 2 285.395 2.526 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000044729916 175239642 /nfs/dbraw/zinc/23/96/42/175239642.db2.gz DHGLKWRHFWGKGC-ZDUSSCGKSA-N 2 2 260.381 2.645 10 30 CFEELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049149433 524319284 /nfs/dbraw/zinc/31/92/84/524319284.db2.gz UBQDXQXHMIQDJW-KGLIPLIRSA-N 2 2 257.381 2.693 10 30 CFEELP C=C(Br)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178303257 189105079 /nfs/dbraw/zinc/10/50/79/189105079.db2.gz VNRVDSYKPCBQOY-LBPRGKRZSA-N 2 2 284.201 2.565 10 30 CFEELP C=C(Br)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178303257 189105080 /nfs/dbraw/zinc/10/50/80/189105080.db2.gz VNRVDSYKPCBQOY-LBPRGKRZSA-N 2 2 284.201 2.565 10 30 CFEELP Cc1cc(NC2CC[NH+](C3CC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301790426 201200518 /nfs/dbraw/zinc/20/05/18/201200518.db2.gz QLOJAAHDGOEEOS-UHFFFAOYSA-N 2 2 270.380 2.609 10 30 CFEELP N#C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000054823755 373530333 /nfs/dbraw/zinc/53/03/33/373530333.db2.gz SGNKNIVNFUOYSA-SJLPKXTDSA-N 2 2 283.419 2.933 10 30 CFEELP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000301810343 393477449 /nfs/dbraw/zinc/47/74/49/393477449.db2.gz ZDBNYMBBQOMEAT-CQSZACIVSA-N 2 2 274.412 2.958 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000037231804 173050275 /nfs/dbraw/zinc/05/02/75/173050275.db2.gz JDAITFFSCJEPFK-OAHLLOKOSA-N 2 2 250.430 2.888 10 30 CFEELP Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399754123 267301597 /nfs/dbraw/zinc/30/15/97/267301597.db2.gz VWDIEDNGQDHZBO-HNNXBMFYSA-N 2 2 294.402 2.616 10 30 CFEELP Cc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399754123 267301600 /nfs/dbraw/zinc/30/16/00/267301600.db2.gz VWDIEDNGQDHZBO-HNNXBMFYSA-N 2 2 294.402 2.616 10 30 CFEELP C[C@@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390870224 348544326 /nfs/dbraw/zinc/54/43/26/348544326.db2.gz RBFXVABWSINLHF-MIGBEJBISA-N 2 2 283.419 2.931 10 30 CFEELP C[C@@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390870224 348544328 /nfs/dbraw/zinc/54/43/28/348544328.db2.gz RBFXVABWSINLHF-MIGBEJBISA-N 2 2 283.419 2.931 10 30 CFEELP Cc1cc(NCC[NH+]2CCC(C)CC2)c(C#N)c(C)[nH+]1 ZINC000133754809 377955305 /nfs/dbraw/zinc/95/53/05/377955305.db2.gz VSRYSFWPVGWEOB-UHFFFAOYSA-N 2 2 272.396 2.714 10 30 CFEELP C(#Cc1ccccc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000192034293 130355981 /nfs/dbraw/zinc/35/59/81/130355981.db2.gz VNGHTZLQOFMVRN-SFHVURJKSA-N 2 2 291.398 2.867 10 30 CFEELP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000192034293 130355983 /nfs/dbraw/zinc/35/59/83/130355983.db2.gz VNGHTZLQOFMVRN-SFHVURJKSA-N 2 2 291.398 2.867 10 30 CFEELP CC[N@H+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748253 174393421 /nfs/dbraw/zinc/39/34/21/174393421.db2.gz VIRIPTQOCQNHGT-SJPCQFCGSA-N 2 2 269.392 2.663 10 30 CFEELP CC[N@@H+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748253 174393422 /nfs/dbraw/zinc/39/34/22/174393422.db2.gz VIRIPTQOCQNHGT-SJPCQFCGSA-N 2 2 269.392 2.663 10 30 CFEELP C#CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000044729915 175239683 /nfs/dbraw/zinc/23/96/83/175239683.db2.gz DHGLKWRHFWGKGC-CYBMUJFWSA-N 2 2 260.381 2.645 10 30 CFEELP C=C(Cl)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151104521 327210187 /nfs/dbraw/zinc/21/01/87/327210187.db2.gz CMRMIDDWNQNYNZ-GFCCVEGCSA-N 2 2 251.761 2.568 10 30 CFEELP C=C(Cl)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151104521 327210188 /nfs/dbraw/zinc/21/01/88/327210188.db2.gz CMRMIDDWNQNYNZ-GFCCVEGCSA-N 2 2 251.761 2.568 10 30 CFEELP