smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000340445882 1021042042 /nfs/dbraw/zinc/04/20/42/1021042042.db2.gz LXKPMBJOKMTSMY-HXUWFJFHSA-N 2 2 334.467 4.075 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000177909366 1022827100 /nfs/dbraw/zinc/82/71/00/1022827100.db2.gz QPWFBCSSKAIIHB-LJQANCHMSA-N 2 2 341.543 4.368 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428354161 1027486404 /nfs/dbraw/zinc/48/64/04/1027486404.db2.gz XXAPMBSTJZOVLI-CQSZACIVSA-N 2 2 334.398 4.042 20 30 EIEDLP C=CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC)cc1 ZINC000346155815 1028287049 /nfs/dbraw/zinc/28/70/49/1028287049.db2.gz RRUQNKUXECXLCK-UHFFFAOYSA-N 2 2 339.464 4.131 20 30 EIEDLP C=CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(OC)cc1 ZINC000346155815 1028287071 /nfs/dbraw/zinc/28/70/71/1028287071.db2.gz RRUQNKUXECXLCK-UHFFFAOYSA-N 2 2 339.464 4.131 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC/C=C\C)cc2)CC1 ZINC000468366019 1029559819 /nfs/dbraw/zinc/55/98/19/1029559819.db2.gz CCAJFBWOSZDZGS-UTSMFGRCSA-N 2 2 342.527 4.203 20 30 EIEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959053 1029766435 /nfs/dbraw/zinc/76/64/35/1029766435.db2.gz HZJMAAFVMATPNN-FQEVSTJZSA-N 2 2 342.446 4.328 20 30 EIEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959053 1029766445 /nfs/dbraw/zinc/76/64/45/1029766445.db2.gz HZJMAAFVMATPNN-FQEVSTJZSA-N 2 2 342.446 4.328 20 30 EIEDLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447562768 1030171337 /nfs/dbraw/zinc/17/13/37/1030171337.db2.gz MXJXAUFFUYJZCD-NRFANRHFSA-N 2 2 344.462 4.086 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512659357 1033645818 /nfs/dbraw/zinc/64/58/18/1033645818.db2.gz FZPGVLRNMMNLNE-MRXNPFEDSA-N 2 2 337.442 4.013 20 30 EIEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000500900573 1034002565 /nfs/dbraw/zinc/00/25/65/1034002565.db2.gz WZXGWCQAHCUXGC-QFIPXVFZSA-N 2 2 347.506 4.121 20 30 EIEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000500900573 1034002584 /nfs/dbraw/zinc/00/25/84/1034002584.db2.gz WZXGWCQAHCUXGC-QFIPXVFZSA-N 2 2 347.506 4.121 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000151149668 1034822463 /nfs/dbraw/zinc/82/24/63/1034822463.db2.gz QFCYRGOZBXKOFJ-CQSZACIVSA-N 2 2 334.398 4.042 20 30 EIEDLP N#CC1(c2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2)CC1 ZINC000597126395 1036124545 /nfs/dbraw/zinc/12/45/45/1036124545.db2.gz BHSDAZXAZKZYOB-UHFFFAOYSA-N 2 2 348.494 4.131 20 30 EIEDLP CC1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000463234823 1041443832 /nfs/dbraw/zinc/44/38/32/1041443832.db2.gz ASCGIUPYRAUACT-UHFFFAOYSA-N 2 2 339.527 4.329 20 30 EIEDLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540591063 1041548479 /nfs/dbraw/zinc/54/84/79/1041548479.db2.gz FFZIVOYRINLVMC-FGZHOGPDSA-N 2 2 339.527 4.327 20 30 EIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000390708476 1044057675 /nfs/dbraw/zinc/05/76/75/1044057675.db2.gz VZMDZFPRWWYROD-LJQANCHMSA-N 2 2 339.508 4.010 20 30 EIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000390708476 1044057684 /nfs/dbraw/zinc/05/76/84/1044057684.db2.gz VZMDZFPRWWYROD-LJQANCHMSA-N 2 2 339.508 4.010 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000611438297 1045307936 /nfs/dbraw/zinc/30/79/36/1045307936.db2.gz IHAMXRWSNTVYBU-JOCHJYFZSA-N 2 2 339.527 4.471 20 30 EIEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000537297023 1047077414 /nfs/dbraw/zinc/07/74/14/1047077414.db2.gz LQHDAFDHCDIXOW-GOSISDBHSA-N 2 2 339.527 4.329 20 30 EIEDLP C=CC[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948388 1048761601 /nfs/dbraw/zinc/76/16/01/1048761601.db2.gz DZJWJLPQVQDQDQ-MJGOQNOKSA-N 2 2 327.516 4.374 20 30 EIEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077177 1049846758 /nfs/dbraw/zinc/84/67/58/1049846758.db2.gz PERDOVVELQULJH-JOZNFPNDSA-N 2 2 344.502 4.213 20 30 EIEDLP C(#Cc1ccccc1)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077177 1049846760 /nfs/dbraw/zinc/84/67/60/1049846760.db2.gz PERDOVVELQULJH-JOZNFPNDSA-N 2 2 344.502 4.213 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000181429517 1050122258 /nfs/dbraw/zinc/12/22/58/1050122258.db2.gz ZPIDFQYIKJLAAW-QHCPKHFHSA-N 2 2 345.490 4.264 20 30 EIEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173333339 1050421889 /nfs/dbraw/zinc/42/18/89/1050421889.db2.gz HBSHCVDVELFWTI-UHFFFAOYSA-N 2 2 343.490 4.161 20 30 EIEDLP CC1(C#N)CCC([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001173586668 1050492212 /nfs/dbraw/zinc/49/22/12/1050492212.db2.gz DKTAWWZOQZHLBW-UHFFFAOYSA-N 2 2 339.527 4.003 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000153041777 1050942420 /nfs/dbraw/zinc/94/24/20/1050942420.db2.gz WNJUADQNGMZQMH-ZDUSSCGKSA-N 2 2 342.405 4.118 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623889170 1052833431 /nfs/dbraw/zinc/83/34/31/1052833431.db2.gz GGTVKNBIYXNEJD-CQSZACIVSA-N 2 2 337.305 4.059 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@]12C[C@H]1CCCC2 ZINC000865704451 1053576908 /nfs/dbraw/zinc/57/69/08/1053576908.db2.gz UBGKIQUTJGTBGI-WEYGHZABSA-N 2 2 337.511 4.081 20 30 EIEDLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)CC1 ZINC001196935445 1053809250 /nfs/dbraw/zinc/80/92/50/1053809250.db2.gz JDLMVNPXRRPRDV-NRFANRHFSA-N 2 2 344.930 4.278 20 30 EIEDLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)CC1 ZINC001196935445 1053809252 /nfs/dbraw/zinc/80/92/52/1053809252.db2.gz JDLMVNPXRRPRDV-NRFANRHFSA-N 2 2 344.930 4.278 20 30 EIEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790268 1024024277 /nfs/dbraw/zinc/02/42/77/1024024277.db2.gz POTRMAPGQAGGEF-PMRDFSHISA-N 2 2 330.438 4.126 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000507654479 1026862898 /nfs/dbraw/zinc/86/28/98/1026862898.db2.gz UJOPDWMARNFMEH-RVEPMOMFSA-N 2 2 339.527 4.101 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000507654479 1026862901 /nfs/dbraw/zinc/86/29/01/1026862901.db2.gz UJOPDWMARNFMEH-RVEPMOMFSA-N 2 2 339.527 4.101 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735346 1029751305 /nfs/dbraw/zinc/75/13/05/1029751305.db2.gz MZKAYDCTFAHEMI-HTAPYJJXSA-N 2 2 348.494 4.220 20 30 EIEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959055 1029767392 /nfs/dbraw/zinc/76/73/92/1029767392.db2.gz HZJMAAFVMATPNN-HXUWFJFHSA-N 2 2 342.446 4.328 20 30 EIEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959055 1029767405 /nfs/dbraw/zinc/76/74/05/1029767405.db2.gz HZJMAAFVMATPNN-HXUWFJFHSA-N 2 2 342.446 4.328 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000365200179 1031553968 /nfs/dbraw/zinc/55/39/68/1031553968.db2.gz VXPMBYBMGPRDFK-FQEVSTJZSA-N 2 2 339.508 4.325 20 30 EIEDLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000449771170 1031993647 /nfs/dbraw/zinc/99/36/47/1031993647.db2.gz FJWAMDYDTPCMKR-SFHVURJKSA-N 2 2 333.479 4.182 20 30 EIEDLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000449771168 1031994587 /nfs/dbraw/zinc/99/45/87/1031994587.db2.gz FJWAMDYDTPCMKR-GOSISDBHSA-N 2 2 333.479 4.182 20 30 EIEDLP C[C@@H](CC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593695309 1036899630 /nfs/dbraw/zinc/89/96/30/1036899630.db2.gz KNYOLVFPIQPBLQ-IBGZPJMESA-N 2 2 347.506 4.306 20 30 EIEDLP CC[N@@H+](Cc1ccc(C)c(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599303541 1036946753 /nfs/dbraw/zinc/94/67/53/1036946753.db2.gz RCRWSEYKKOMARD-UHFFFAOYSA-N 2 2 348.494 4.000 20 30 EIEDLP CC[N@H+](Cc1ccc(C)c(C#N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599303541 1036946763 /nfs/dbraw/zinc/94/67/63/1036946763.db2.gz RCRWSEYKKOMARD-UHFFFAOYSA-N 2 2 348.494 4.000 20 30 EIEDLP C=CCOc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608069681 1038485097 /nfs/dbraw/zinc/48/50/97/1038485097.db2.gz DRVUCZWPFMZIAN-OAQYLSRUSA-N 2 2 347.462 4.059 20 30 EIEDLP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539497963 1040488738 /nfs/dbraw/zinc/48/87/38/1040488738.db2.gz AVOFYEKMAKLGNL-SFHVURJKSA-N 2 2 327.516 4.327 20 30 EIEDLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000463237233 1041445306 /nfs/dbraw/zinc/44/53/06/1041445306.db2.gz LIRXBWNZEKSVBC-OPYAIIAOSA-N 2 2 339.527 4.185 20 30 EIEDLP CCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540594065 1041551220 /nfs/dbraw/zinc/55/12/20/1041551220.db2.gz DGMXZECBYKSOJY-RBBKRZOGSA-N 2 2 339.527 4.471 20 30 EIEDLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983096 1041765592 /nfs/dbraw/zinc/76/55/92/1041765592.db2.gz SYHFTYVLAQAXEI-IFMALSPDSA-N 2 2 339.527 4.327 20 30 EIEDLP C#C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000491775962 1042501244 /nfs/dbraw/zinc/50/12/44/1042501244.db2.gz DTCGTHHDKJZUJT-KRWDZBQOSA-N 2 2 327.840 4.051 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000177913687 1042854757 /nfs/dbraw/zinc/85/47/57/1042854757.db2.gz YLXJDSPZFXNMEY-KRWDZBQOSA-N 2 2 337.305 4.140 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574872 1043803734 /nfs/dbraw/zinc/80/37/34/1043803734.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574872 1043803735 /nfs/dbraw/zinc/80/37/35/1043803735.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574872 1043803740 /nfs/dbraw/zinc/80/37/40/1043803740.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574872 1043803744 /nfs/dbraw/zinc/80/37/44/1043803744.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C=CCC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccco1 ZINC000476010998 1046408237 /nfs/dbraw/zinc/40/82/37/1046408237.db2.gz VNOVGKBQHRWUTL-IBGZPJMESA-N 2 2 335.451 4.364 20 30 EIEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000845944260 1048770200 /nfs/dbraw/zinc/77/02/00/1048770200.db2.gz NZTDOXRKUQSPHQ-PKOBYXMFSA-N 2 2 327.516 4.056 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171977487 1049837085 /nfs/dbraw/zinc/83/70/85/1049837085.db2.gz BPYGJXRNLXTLAS-SFHVURJKSA-N 2 2 339.508 4.153 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171977487 1049837090 /nfs/dbraw/zinc/83/70/90/1049837090.db2.gz BPYGJXRNLXTLAS-SFHVURJKSA-N 2 2 339.508 4.153 20 30 EIEDLP C[C@@H](CCCC#N)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001172483753 1049910846 /nfs/dbraw/zinc/91/08/46/1049910846.db2.gz SZKPXFAGQXWGOB-IBGZPJMESA-N 2 2 347.506 4.380 20 30 EIEDLP CC1(C#N)CCC([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CC1 ZINC001173586766 1050492826 /nfs/dbraw/zinc/49/28/26/1050492826.db2.gz FRKJDAXLXQTYFU-PWAJEDTMSA-N 2 2 333.479 4.490 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC001179044688 1050614935 /nfs/dbraw/zinc/61/49/35/1050614935.db2.gz NFJGNHNDYTUNHM-QZTJIDSGSA-N 2 2 334.891 4.011 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC001179044688 1050614945 /nfs/dbraw/zinc/61/49/45/1050614945.db2.gz NFJGNHNDYTUNHM-QZTJIDSGSA-N 2 2 334.891 4.011 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000157272638 1051622373 /nfs/dbraw/zinc/62/23/73/1051622373.db2.gz MZMMITQKKGANQF-UHFFFAOYSA-N 2 2 343.298 4.132 20 30 EIEDLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1O ZINC000866219437 1053654012 /nfs/dbraw/zinc/65/40/12/1053654012.db2.gz NUWFXRVTEHDFOY-QGZVFWFLSA-N 2 2 349.478 4.101 20 30 EIEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209456 1054612371 /nfs/dbraw/zinc/61/23/71/1054612371.db2.gz XULJOFJNIHRQOX-APWZRJJASA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209456 1054612375 /nfs/dbraw/zinc/61/23/75/1054612375.db2.gz XULJOFJNIHRQOX-APWZRJJASA-N 2 2 334.467 4.032 20 30 EIEDLP CCCCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814226 1054911426 /nfs/dbraw/zinc/91/14/26/1054911426.db2.gz MYWAZDXFHYDFJK-MSOLQXFVSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814226 1054911439 /nfs/dbraw/zinc/91/14/39/1054911439.db2.gz MYWAZDXFHYDFJK-MSOLQXFVSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201814226 1054911449 /nfs/dbraw/zinc/91/14/49/1054911449.db2.gz MYWAZDXFHYDFJK-MSOLQXFVSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201814226 1054911463 /nfs/dbraw/zinc/91/14/63/1054911463.db2.gz MYWAZDXFHYDFJK-MSOLQXFVSA-N 2 2 335.561 4.400 20 30 EIEDLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025088 1022412553 /nfs/dbraw/zinc/41/25/53/1022412553.db2.gz FNVKMYAITQNUEW-FXAWDEMLSA-N 2 2 325.500 4.081 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000341211447 1023378358 /nfs/dbraw/zinc/37/83/58/1023378358.db2.gz SWGIHSVGXYLSKB-GOSISDBHSA-N 2 2 349.316 4.067 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000341211448 1023379477 /nfs/dbraw/zinc/37/94/77/1023379477.db2.gz SWGIHSVGXYLSKB-SFHVURJKSA-N 2 2 349.316 4.067 20 30 EIEDLP C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341758445 1024617247 /nfs/dbraw/zinc/61/72/47/1024617247.db2.gz PNEYTHWXYKGMEI-OPAMFIHVSA-N 2 2 342.446 4.472 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000507636265 1026860239 /nfs/dbraw/zinc/86/02/39/1026860239.db2.gz MTOBMZGFXFNKPA-LAXGTINGSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000507636265 1026860241 /nfs/dbraw/zinc/86/02/41/1026860241.db2.gz MTOBMZGFXFNKPA-LAXGTINGSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042606 1027564211 /nfs/dbraw/zinc/56/42/11/1027564211.db2.gz ZYPIJALJYWHEHR-OPVJXMOQSA-N 2 2 325.500 4.244 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042606 1027564224 /nfs/dbraw/zinc/56/42/24/1027564224.db2.gz ZYPIJALJYWHEHR-OPVJXMOQSA-N 2 2 325.500 4.244 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443967114 1028164605 /nfs/dbraw/zinc/16/46/05/1028164605.db2.gz ZBDKLQMWEDIXIP-UHFFFAOYSA-N 2 2 340.442 4.358 20 30 EIEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980941 1035512960 /nfs/dbraw/zinc/51/29/60/1035512960.db2.gz DLHUPDWPKPUONU-UYAOXDASSA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000594980941 1035512986 /nfs/dbraw/zinc/51/29/86/1035512986.db2.gz DLHUPDWPKPUONU-UYAOXDASSA-N 2 2 325.500 4.103 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC1 ZINC000572184186 1036460914 /nfs/dbraw/zinc/46/09/14/1036460914.db2.gz QCFLPZGIQFAVHQ-KRWDZBQOSA-N 2 2 339.527 4.464 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540245 1036489939 /nfs/dbraw/zinc/48/99/39/1036489939.db2.gz YAWIOGQOJVJFGR-KNQAVFIVSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540245 1036489954 /nfs/dbraw/zinc/48/99/54/1036489954.db2.gz YAWIOGQOJVJFGR-KNQAVFIVSA-N 2 2 349.453 4.155 20 30 EIEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594965183 1038549917 /nfs/dbraw/zinc/54/99/17/1038549917.db2.gz RHNYMKFXWAVHNB-IRLDBZIGSA-N 2 2 337.511 4.247 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482653106 1040414511 /nfs/dbraw/zinc/41/45/11/1040414511.db2.gz WQSWSCGREKXTPT-INIZCTEOSA-N 2 2 342.483 4.441 20 30 EIEDLP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539494935 1040470725 /nfs/dbraw/zinc/47/07/25/1040470725.db2.gz VYINLTGFGPZGDD-GHTZIAJQSA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243825 1041451707 /nfs/dbraw/zinc/45/17/07/1041451707.db2.gz UMSBRPGUYCNXNZ-CMKODMSKSA-N 2 2 325.500 4.322 20 30 EIEDLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540591067 1041548040 /nfs/dbraw/zinc/54/80/40/1041548040.db2.gz FFZIVOYRINLVMC-YADHBBJMSA-N 2 2 339.527 4.327 20 30 EIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000390716225 1044059179 /nfs/dbraw/zinc/05/91/79/1044059179.db2.gz YGUOJODGCRRVJZ-LJQANCHMSA-N 2 2 339.508 4.010 20 30 EIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000390716225 1044059198 /nfs/dbraw/zinc/05/91/98/1044059198.db2.gz YGUOJODGCRRVJZ-LJQANCHMSA-N 2 2 339.508 4.010 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000115617083 1044963105 /nfs/dbraw/zinc/96/31/05/1044963105.db2.gz UPGXXBXABIMIOJ-UHFFFAOYSA-N 2 2 341.524 4.249 20 30 EIEDLP C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000611393453 1045298654 /nfs/dbraw/zinc/29/86/54/1045298654.db2.gz UHZKUUXCCDUIGL-ZHRRBRCNSA-N 2 2 342.446 4.472 20 30 EIEDLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476152 1045315395 /nfs/dbraw/zinc/31/53/95/1045315395.db2.gz ORKBQMDUJOHASW-AVRDEDQJSA-N 2 2 345.490 4.190 20 30 EIEDLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476152 1045315404 /nfs/dbraw/zinc/31/54/04/1045315404.db2.gz ORKBQMDUJOHASW-AVRDEDQJSA-N 2 2 345.490 4.190 20 30 EIEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170369490 1046019080 /nfs/dbraw/zinc/01/90/80/1046019080.db2.gz WMHBGUSGBXFUHX-JSRJAPPDSA-N 2 2 339.527 4.101 20 30 EIEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954549 1049067782 /nfs/dbraw/zinc/06/77/82/1049067782.db2.gz YNGYNOCMEHWTIY-IERDGZPVSA-N 2 2 337.467 4.063 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820809692 1049554579 /nfs/dbraw/zinc/55/45/79/1049554579.db2.gz GQQNWGVHBOVKJU-HXUWFJFHSA-N 2 2 344.886 4.457 20 30 EIEDLP CC1(C)C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964860 1049826394 /nfs/dbraw/zinc/82/63/94/1049826394.db2.gz NHAAVWTWCZRGAB-LJQANCHMSA-N 2 2 325.500 4.103 20 30 EIEDLP CC1(C)C[C@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964860 1049826395 /nfs/dbraw/zinc/82/63/95/1049826395.db2.gz NHAAVWTWCZRGAB-LJQANCHMSA-N 2 2 325.500 4.103 20 30 EIEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066005 1049851288 /nfs/dbraw/zinc/85/12/88/1049851288.db2.gz SOEVERPCBJRVCV-NUNAXRQHSA-N 2 2 345.490 4.234 20 30 EIEDLP N#Cc1ccccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066005 1049851290 /nfs/dbraw/zinc/85/12/90/1049851290.db2.gz SOEVERPCBJRVCV-NUNAXRQHSA-N 2 2 345.490 4.234 20 30 EIEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172069621 1049853459 /nfs/dbraw/zinc/85/34/59/1049853459.db2.gz VXSWURBFOWBBHX-WKCHPHFGSA-N 2 2 337.511 4.246 20 30 EIEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172069621 1049853463 /nfs/dbraw/zinc/85/34/63/1049853463.db2.gz VXSWURBFOWBBHX-WKCHPHFGSA-N 2 2 337.511 4.246 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000084659924 1050014277 /nfs/dbraw/zinc/01/42/77/1050014277.db2.gz USUTTXMGOATRQD-UHFFFAOYSA-N 2 2 333.526 4.002 20 30 EIEDLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181776794 1050328138 /nfs/dbraw/zinc/32/81/38/1050328138.db2.gz VJJOJXKIRQWESU-QGZVFWFLSA-N 2 2 327.516 4.327 20 30 EIEDLP N#CCC1CCC([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001173324660 1050418550 /nfs/dbraw/zinc/41/85/50/1050418550.db2.gz RPQHYBQOYVEHSC-UHFFFAOYSA-N 2 2 339.527 4.003 20 30 EIEDLP CCCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000182015108 1050421746 /nfs/dbraw/zinc/42/17/46/1050421746.db2.gz SSZUGVTUZWCQFO-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP C[N@H+](C1CCC(CC#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001173331041 1050422739 /nfs/dbraw/zinc/42/27/39/1050422739.db2.gz KPPBUNMWDCZYII-UHFFFAOYSA-N 2 2 325.500 4.055 20 30 EIEDLP C[N@@H+](C1CCC(CC#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001173331041 1050422747 /nfs/dbraw/zinc/42/27/47/1050422747.db2.gz KPPBUNMWDCZYII-UHFFFAOYSA-N 2 2 325.500 4.055 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000152966304 1050913949 /nfs/dbraw/zinc/91/39/49/1050913949.db2.gz ZDGFNMNUKJCWPA-CQSZACIVSA-N 2 2 337.305 4.140 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OC(F)F)CC1 ZINC000153018728 1050935196 /nfs/dbraw/zinc/93/51/96/1050935196.db2.gz RPHGBRCRWXPQNC-QGZVFWFLSA-N 2 2 338.442 4.369 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000072670477 1052558647 /nfs/dbraw/zinc/55/86/47/1052558647.db2.gz RCZVGDJABQYWMN-KRWDZBQOSA-N 2 2 333.435 4.288 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181587234 1022822504 /nfs/dbraw/zinc/82/25/04/1022822504.db2.gz UASQCMLWGILIKK-IBGZPJMESA-N 2 2 339.508 4.325 20 30 EIEDLP N#CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000090665371 1024457877 /nfs/dbraw/zinc/45/78/77/1024457877.db2.gz RHHINAAXFXYBPS-QFIPXVFZSA-N 2 2 333.479 4.286 20 30 EIEDLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000446846105 1029608701 /nfs/dbraw/zinc/60/87/01/1029608701.db2.gz VLFNBYGRTBRWDG-UHFFFAOYSA-N 2 2 339.527 4.102 20 30 EIEDLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000446846105 1029608705 /nfs/dbraw/zinc/60/87/05/1029608705.db2.gz VLFNBYGRTBRWDG-UHFFFAOYSA-N 2 2 339.527 4.102 20 30 EIEDLP CSCCCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183187947 1035313198 /nfs/dbraw/zinc/31/31/98/1035313198.db2.gz UPFAWIDALMJNAE-UHFFFAOYSA-N 2 2 345.556 4.036 20 30 EIEDLP N#CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981437 1035513090 /nfs/dbraw/zinc/51/30/90/1035513090.db2.gz PPHVZLGERFAKES-FQEVSTJZSA-N 2 2 337.511 4.247 20 30 EIEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981437 1035513131 /nfs/dbraw/zinc/51/31/31/1035513131.db2.gz PPHVZLGERFAKES-FQEVSTJZSA-N 2 2 337.511 4.247 20 30 EIEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCC(C)(C)C#N ZINC000482166452 1040052792 /nfs/dbraw/zinc/05/27/92/1040052792.db2.gz UWJBMMAVDUVHHB-FQEVSTJZSA-N 2 2 341.543 4.379 20 30 EIEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCC(C)(C)C#N ZINC000482166452 1040052806 /nfs/dbraw/zinc/05/28/06/1040052806.db2.gz UWJBMMAVDUVHHB-FQEVSTJZSA-N 2 2 341.543 4.379 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)CC1 ZINC000482631641 1040396730 /nfs/dbraw/zinc/39/67/30/1040396730.db2.gz OBYNDJKIAPDDNE-SFHVURJKSA-N 2 2 330.516 4.413 20 30 EIEDLP Cc1cc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000539495251 1040470476 /nfs/dbraw/zinc/47/04/76/1040470476.db2.gz JXHXZLPZSGLCJF-UHFFFAOYSA-N 2 2 347.506 4.238 20 30 EIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000539509979 1040502722 /nfs/dbraw/zinc/50/27/22/1040502722.db2.gz LWXOTBLDYQYDHZ-UHFFFAOYSA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934923 1041071517 /nfs/dbraw/zinc/07/15/17/1041071517.db2.gz YUQFKEMVMBHNDM-NZQKXSOJSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934923 1041071542 /nfs/dbraw/zinc/07/15/42/1041071542.db2.gz YUQFKEMVMBHNDM-NZQKXSOJSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934923 1041071558 /nfs/dbraw/zinc/07/15/58/1041071558.db2.gz YUQFKEMVMBHNDM-NZQKXSOJSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934923 1041071566 /nfs/dbraw/zinc/07/15/66/1041071566.db2.gz YUQFKEMVMBHNDM-NZQKXSOJSA-N 2 2 332.491 4.023 20 30 EIEDLP CCCC[C@H](CC)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538396911 1041315590 /nfs/dbraw/zinc/31/55/90/1041315590.db2.gz IPBWKXSOOSZKKO-SFHVURJKSA-N 2 2 327.516 4.329 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609154 1041561280 /nfs/dbraw/zinc/56/12/80/1041561280.db2.gz DKKTWCVJXMNQRC-XMSQKQJNSA-N 2 2 344.462 4.464 20 30 EIEDLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476154 1045316013 /nfs/dbraw/zinc/31/60/13/1045316013.db2.gz ORKBQMDUJOHASW-PGRDOPGGSA-N 2 2 345.490 4.190 20 30 EIEDLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476154 1045316020 /nfs/dbraw/zinc/31/60/20/1045316020.db2.gz ORKBQMDUJOHASW-PGRDOPGGSA-N 2 2 345.490 4.190 20 30 EIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000536662357 1046632466 /nfs/dbraw/zinc/63/24/66/1046632466.db2.gz SMKBNCKMXADGSB-GOSISDBHSA-N 2 2 348.918 4.355 20 30 EIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000536662357 1046632468 /nfs/dbraw/zinc/63/24/68/1046632468.db2.gz SMKBNCKMXADGSB-GOSISDBHSA-N 2 2 348.918 4.355 20 30 EIEDLP C=CC[C@H]1CC[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948386 1048762668 /nfs/dbraw/zinc/76/26/68/1048762668.db2.gz DZJWJLPQVQDQDQ-HKUYNNGSSA-N 2 2 327.516 4.374 20 30 EIEDLP C#CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000773117778 1049587647 /nfs/dbraw/zinc/58/76/47/1049587647.db2.gz WRVCGUYBYHZMKP-QHCPKHFHSA-N 2 2 332.491 4.048 20 30 EIEDLP C=CCCCC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842602 1049606403 /nfs/dbraw/zinc/60/64/03/1049606403.db2.gz MTDPZOQVKMFOLS-SFHVURJKSA-N 2 2 329.532 4.446 20 30 EIEDLP C(#Cc1ccccc1)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077174 1049846593 /nfs/dbraw/zinc/84/65/93/1049846593.db2.gz PERDOVVELQULJH-BKFWDETESA-N 2 2 344.502 4.213 20 30 EIEDLP C(#Cc1ccccc1)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077174 1049846596 /nfs/dbraw/zinc/84/65/96/1049846596.db2.gz PERDOVVELQULJH-BKFWDETESA-N 2 2 344.502 4.213 20 30 EIEDLP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387454 1050114215 /nfs/dbraw/zinc/11/42/15/1050114215.db2.gz PGVBOIPZEQRAHE-IBGZPJMESA-N 2 2 347.506 4.134 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000091334228 1050253545 /nfs/dbraw/zinc/25/35/45/1050253545.db2.gz NHGCXFODYSHVHP-OAQYLSRUSA-N 2 2 328.500 4.167 20 30 EIEDLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000181757026 1050326413 /nfs/dbraw/zinc/32/64/13/1050326413.db2.gz VPTSDICQNFSGAD-LJQANCHMSA-N 2 2 347.506 4.490 20 30 EIEDLP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181801253 1050335258 /nfs/dbraw/zinc/33/52/58/1050335258.db2.gz BWCMCHPPZVRHQZ-IBGZPJMESA-N 2 2 347.506 4.224 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000153041893 1050944150 /nfs/dbraw/zinc/94/41/50/1050944150.db2.gz WNJUADQNGMZQMH-CYBMUJFWSA-N 2 2 342.405 4.118 20 30 EIEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209470 1054612192 /nfs/dbraw/zinc/61/21/92/1054612192.db2.gz XULJOFJNIHRQOX-VQIMIIECSA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209470 1054612196 /nfs/dbraw/zinc/61/21/96/1054612196.db2.gz XULJOFJNIHRQOX-VQIMIIECSA-N 2 2 334.467 4.032 20 30 EIEDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000776154989 1054744016 /nfs/dbraw/zinc/74/40/16/1054744016.db2.gz FKKGBVDKMUDKKO-INIZCTEOSA-N 2 2 339.508 4.243 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201838710 1054930869 /nfs/dbraw/zinc/93/08/69/1054930869.db2.gz DPCRZGIVZHTKBN-SFTDATJTSA-N 2 2 329.532 4.196 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742391291 1058591120 /nfs/dbraw/zinc/59/11/20/1058591120.db2.gz GNGGIHYKFKLNHT-KRWDZBQOSA-N 2 2 333.435 4.288 20 30 EIEDLP COc1ccc([C@H](CCC#N)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000580034581 1021309536 /nfs/dbraw/zinc/30/95/36/1021309536.db2.gz KISDGNMYWXSIIU-NRFANRHFSA-N 2 2 346.434 4.016 20 30 EIEDLP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342815983 1027122107 /nfs/dbraw/zinc/12/21/07/1027122107.db2.gz RYIQYMUZERTCLV-INIZCTEOSA-N 2 2 328.419 4.084 20 30 EIEDLP C=C(C)C[NH+]1CCC(Nc2c(C)c[nH+]c3c(OC)cccc23)CC1 ZINC000302687543 1027360437 /nfs/dbraw/zinc/36/04/37/1027360437.db2.gz YPYQRNVFBRCHKI-UHFFFAOYSA-N 2 2 325.456 4.004 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000536302069 1027859825 /nfs/dbraw/zinc/85/98/25/1027859825.db2.gz JXQHSSPNFFLFSS-QGZVFWFLSA-N 2 2 325.283 4.221 20 30 EIEDLP C=CCOc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000685459573 1030361236 /nfs/dbraw/zinc/36/12/36/1030361236.db2.gz LQRSMIPMZGPPLU-UHFFFAOYSA-N 2 2 339.483 4.140 20 30 EIEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000449476915 1031774255 /nfs/dbraw/zinc/77/42/55/1031774255.db2.gz OABOYNCLEYYFSY-UHFFFAOYSA-N 2 2 325.500 4.103 20 30 EIEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000449476915 1031774240 /nfs/dbraw/zinc/77/42/40/1031774240.db2.gz OABOYNCLEYYFSY-UHFFFAOYSA-N 2 2 325.500 4.103 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)cc1 ZINC000453409568 1031943731 /nfs/dbraw/zinc/94/37/31/1031943731.db2.gz WLMIOLFEGMXCEM-UHFFFAOYSA-N 2 2 337.511 4.083 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000513510964 1035005458 /nfs/dbraw/zinc/00/54/58/1035005458.db2.gz GVFDPJVUBICIGG-UHFFFAOYSA-N 2 2 346.824 4.489 20 30 EIEDLP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495180 1040471354 /nfs/dbraw/zinc/47/13/54/1040471354.db2.gz GZHVHLBAZIMTKD-RTBURBONSA-N 2 2 339.527 4.329 20 30 EIEDLP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538396910 1041316947 /nfs/dbraw/zinc/31/69/47/1041316947.db2.gz IPBWKXSOOSZKKO-GOSISDBHSA-N 2 2 327.516 4.329 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Br)c2)CC1 ZINC000177912353 1042854733 /nfs/dbraw/zinc/85/47/33/1042854733.db2.gz PVLWBINGDDLHJZ-KRWDZBQOSA-N 2 2 337.305 4.140 20 30 EIEDLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000611438841 1045307756 /nfs/dbraw/zinc/30/77/56/1045307756.db2.gz BAASJDIRTVTLHW-QHCPKHFHSA-N 2 2 345.490 4.108 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000537303529 1047084286 /nfs/dbraw/zinc/08/42/86/1047084286.db2.gz JQERNHLNDPPADT-VXKWHMMOSA-N 2 2 337.511 4.081 20 30 EIEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000845944257 1048769465 /nfs/dbraw/zinc/76/94/65/1048769465.db2.gz NZTDOXRKUQSPHQ-HKUYNNGSSA-N 2 2 327.516 4.056 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171983873 1049841066 /nfs/dbraw/zinc/84/10/66/1049841066.db2.gz QDINFPVBQFEAIP-QFIPXVFZSA-N 2 2 332.491 4.071 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171983873 1049841071 /nfs/dbraw/zinc/84/10/71/1049841071.db2.gz QDINFPVBQFEAIP-QFIPXVFZSA-N 2 2 332.491 4.071 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)cc1 ZINC000181390755 1050114615 /nfs/dbraw/zinc/11/46/15/1050114615.db2.gz WJKUDTDQENBFIW-QHCPKHFHSA-N 2 2 345.490 4.190 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC001179044687 1050616177 /nfs/dbraw/zinc/61/61/77/1050616177.db2.gz NFJGNHNDYTUNHM-MSOLQXFVSA-N 2 2 334.891 4.011 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC001179044687 1050616182 /nfs/dbraw/zinc/61/61/82/1050616182.db2.gz NFJGNHNDYTUNHM-MSOLQXFVSA-N 2 2 334.891 4.011 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000152968702 1050911861 /nfs/dbraw/zinc/91/18/61/1050911861.db2.gz RGPNJBLOLFWJJP-HNNXBMFYSA-N 2 2 338.442 4.288 20 30 EIEDLP C=CCC1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC001175371439 1051557765 /nfs/dbraw/zinc/55/77/65/1051557765.db2.gz GJJVQZBMIZENRM-UHFFFAOYSA-N 2 2 341.543 4.067 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000072670478 1052558854 /nfs/dbraw/zinc/55/88/54/1052558854.db2.gz RCZVGDJABQYWMN-QGZVFWFLSA-N 2 2 333.435 4.288 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000623889325 1052833595 /nfs/dbraw/zinc/83/35/95/1052833595.db2.gz KNBKROAFKCZXRI-GFCCVEGCSA-N 2 2 330.369 4.146 20 30 EIEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000765259140 1053479810 /nfs/dbraw/zinc/47/98/10/1053479810.db2.gz NTBRDOHXRVUFHM-INIZCTEOSA-N 2 2 333.863 4.145 20 30 EIEDLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025059 1022412783 /nfs/dbraw/zinc/41/27/83/1022412783.db2.gz FNVKMYAITQNUEW-YLJYHZDGSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156991056 1022932572 /nfs/dbraw/zinc/93/25/72/1022932572.db2.gz KSSLMNHZJNIHOF-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156991056 1022932591 /nfs/dbraw/zinc/93/25/91/1022932591.db2.gz KSSLMNHZJNIHOF-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156991056 1022932617 /nfs/dbraw/zinc/93/26/17/1022932617.db2.gz KSSLMNHZJNIHOF-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156991056 1022932635 /nfs/dbraw/zinc/93/26/35/1022932635.db2.gz KSSLMNHZJNIHOF-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000179109953 1023204728 /nfs/dbraw/zinc/20/47/28/1023204728.db2.gz NEQVLMGZQXFFEU-GOSISDBHSA-N 2 2 334.891 4.102 20 30 EIEDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1Cl ZINC000377104478 1023371594 /nfs/dbraw/zinc/37/15/94/1023371594.db2.gz RHIPYWSAACRJQP-CQSZACIVSA-N 2 2 336.826 4.248 20 30 EIEDLP Cc1cccc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000546227995 1026821636 /nfs/dbraw/zinc/82/16/36/1026821636.db2.gz GHLHVNUEEBZLRY-IBGZPJMESA-N 2 2 347.506 4.490 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000153018851 1026929670 /nfs/dbraw/zinc/92/96/70/1026929670.db2.gz JDPNEEPHSARYDM-CQSZACIVSA-N 2 2 335.561 4.440 20 30 EIEDLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000447528131 1030125807 /nfs/dbraw/zinc/12/58/07/1030125807.db2.gz HADZTRZGACHUOK-NRFANRHFSA-N 2 2 330.435 4.044 20 30 EIEDLP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449442162 1031763957 /nfs/dbraw/zinc/76/39/57/1031763957.db2.gz JZBASDZJOHIMJQ-GOSISDBHSA-N 2 2 325.500 4.247 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000183146802 1035266009 /nfs/dbraw/zinc/26/60/09/1035266009.db2.gz SAQNJOVMMLCCDO-AWEZNQCLSA-N 2 2 334.398 4.042 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540250 1036491100 /nfs/dbraw/zinc/49/11/00/1036491100.db2.gz YAWIOGQOJVJFGR-UGKGYDQZSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540250 1036491114 /nfs/dbraw/zinc/49/11/14/1036491114.db2.gz YAWIOGQOJVJFGR-UGKGYDQZSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4occc4c3)CC2)c1 ZINC000593692738 1036893311 /nfs/dbraw/zinc/89/33/11/1036893311.db2.gz JCOIXAXIOTWRRL-UHFFFAOYSA-N 2 2 345.446 4.059 20 30 EIEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033090 1038227951 /nfs/dbraw/zinc/22/79/51/1038227951.db2.gz HNKLKLDXWNCOGB-UHFFFAOYSA-N 2 2 342.446 4.221 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)CSc2ccc(Cl)cc2)CC1 ZINC000482638345 1040403538 /nfs/dbraw/zinc/40/35/38/1040403538.db2.gz ZMUWLENNXNMEQD-MRXNPFEDSA-N 2 2 338.948 4.451 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000482636827 1040410803 /nfs/dbraw/zinc/41/08/03/1040410803.db2.gz NDJDFYPRVQKFCE-SFHVURJKSA-N 2 2 336.907 4.430 20 30 EIEDLP C[C@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495179 1040470643 /nfs/dbraw/zinc/47/06/43/1040470643.db2.gz GZHVHLBAZIMTKD-RBUKOAKNSA-N 2 2 339.527 4.329 20 30 EIEDLP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538395910 1041312487 /nfs/dbraw/zinc/31/24/87/1041312487.db2.gz SNPPXAOPAUSQEP-IFMALSPDSA-N 2 2 339.527 4.471 20 30 EIEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463281481 1041470930 /nfs/dbraw/zinc/47/09/30/1041470930.db2.gz KSMVQQSLSAOLFB-UIFIKXQLSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463281481 1041470942 /nfs/dbraw/zinc/47/09/42/1041470942.db2.gz KSMVQQSLSAOLFB-UIFIKXQLSA-N 2 2 339.527 4.131 20 30 EIEDLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540606618 1041560987 /nfs/dbraw/zinc/56/09/87/1041560987.db2.gz OJMLCLUOEWMMGT-GAJHUEQPSA-N 2 2 345.490 4.046 20 30 EIEDLP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)SC ZINC000271837897 1042437648 /nfs/dbraw/zinc/43/76/48/1042437648.db2.gz GFEUHQBIMZBAMJ-UHFFFAOYSA-N 2 2 345.556 4.034 20 30 EIEDLP C#C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000491775963 1042500750 /nfs/dbraw/zinc/50/07/50/1042500750.db2.gz DTCGTHHDKJZUJT-QGZVFWFLSA-N 2 2 327.840 4.051 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(Br)c2)CC1 ZINC000177912370 1042854383 /nfs/dbraw/zinc/85/43/83/1042854383.db2.gz PVLWBINGDDLHJZ-QGZVFWFLSA-N 2 2 337.305 4.140 20 30 EIEDLP C[C@@H]1CC([NH2+]CC2(C#N)CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009053 1043088584 /nfs/dbraw/zinc/08/85/84/1043088584.db2.gz YNIGHYUCOUJOEV-QZTJIDSGSA-N 2 2 325.500 4.102 20 30 EIEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000611391338 1045302015 /nfs/dbraw/zinc/30/20/15/1045302015.db2.gz BUQMINUJJVNBHO-HXUWFJFHSA-N 2 2 346.409 4.050 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCc3ccccc3)CC2)cc1 ZINC000611438528 1045308579 /nfs/dbraw/zinc/30/85/79/1045308579.db2.gz KKLDVKGUSMBHBU-UHFFFAOYSA-N 2 2 347.506 4.135 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476153 1045315959 /nfs/dbraw/zinc/31/59/59/1045315959.db2.gz ORKBQMDUJOHASW-GCJKJVERSA-N 2 2 345.490 4.190 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476153 1045315963 /nfs/dbraw/zinc/31/59/63/1045315963.db2.gz ORKBQMDUJOHASW-GCJKJVERSA-N 2 2 345.490 4.190 20 30 EIEDLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000459754970 1046872688 /nfs/dbraw/zinc/87/26/88/1046872688.db2.gz MZEXGEYCYDFPDY-OAQYLSRUSA-N 2 2 325.500 4.081 20 30 EIEDLP C#Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000809627844 1048441713 /nfs/dbraw/zinc/44/17/13/1048441713.db2.gz HXYCYNZPWOXAGI-QFIPXVFZSA-N 2 2 329.447 4.012 20 30 EIEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000845944259 1048769355 /nfs/dbraw/zinc/76/93/55/1048769355.db2.gz NZTDOXRKUQSPHQ-MJGOQNOKSA-N 2 2 327.516 4.056 20 30 EIEDLP C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793270 1049592993 /nfs/dbraw/zinc/59/29/93/1049592993.db2.gz RJMUFUKHLZRMLV-WEYGHZABSA-N 2 2 336.454 4.000 20 30 EIEDLP C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793270 1049593008 /nfs/dbraw/zinc/59/30/08/1049593008.db2.gz RJMUFUKHLZRMLV-WEYGHZABSA-N 2 2 336.454 4.000 20 30 EIEDLP CC1(C)C[C@H]([NH2+]C2(CC#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977635 1049836922 /nfs/dbraw/zinc/83/69/22/1049836922.db2.gz SNIXGFKQYFWBCJ-LJQANCHMSA-N 2 2 325.500 4.246 20 30 EIEDLP CC1(C)C[C@H]([NH2+]C2(CC#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977635 1049836923 /nfs/dbraw/zinc/83/69/23/1049836923.db2.gz SNIXGFKQYFWBCJ-LJQANCHMSA-N 2 2 325.500 4.246 20 30 EIEDLP CC1(C)C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171983863 1049840658 /nfs/dbraw/zinc/84/06/58/1049840658.db2.gz QDINFPVBQFEAIP-JOCHJYFZSA-N 2 2 332.491 4.071 20 30 EIEDLP CC1(C)C[C@H]([NH2+]CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171983863 1049840660 /nfs/dbraw/zinc/84/06/60/1049840660.db2.gz QDINFPVBQFEAIP-JOCHJYFZSA-N 2 2 332.491 4.071 20 30 EIEDLP C[C@H](CCCC#N)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001172483754 1049910936 /nfs/dbraw/zinc/91/09/36/1049910936.db2.gz SZKPXFAGQXWGOB-LJQANCHMSA-N 2 2 347.506 4.380 20 30 EIEDLP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181676926 1050292275 /nfs/dbraw/zinc/29/22/75/1050292275.db2.gz KMNVZHHCAVPXND-JOCHJYFZSA-N 2 2 347.506 4.134 20 30 EIEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591395 1050495553 /nfs/dbraw/zinc/49/55/53/1050495553.db2.gz HUWBHTPZFLKKHE-UHFFFAOYSA-N 2 2 343.490 4.161 20 30 EIEDLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCC(C)(C#N)CC1 ZINC001173593818 1050496255 /nfs/dbraw/zinc/49/62/55/1050496255.db2.gz OFSZUTMMWCFWFI-UHFFFAOYSA-N 2 2 325.500 4.055 20 30 EIEDLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1CCC(C)(C#N)CC1 ZINC001173593818 1050496272 /nfs/dbraw/zinc/49/62/72/1050496272.db2.gz OFSZUTMMWCFWFI-UHFFFAOYSA-N 2 2 325.500 4.055 20 30 EIEDLP C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618804751 1050533560 /nfs/dbraw/zinc/53/35/60/1050533560.db2.gz LTCFWMPFQSZDEQ-VFNWGFHPSA-N 2 2 328.419 4.082 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973112 1051854534 /nfs/dbraw/zinc/85/45/34/1051854534.db2.gz JYUIEOWGLMJNQK-NMNUPHIUSA-N 2 2 345.490 4.073 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973112 1051854543 /nfs/dbraw/zinc/85/45/43/1051854543.db2.gz JYUIEOWGLMJNQK-NMNUPHIUSA-N 2 2 345.490 4.073 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973112 1051854544 /nfs/dbraw/zinc/85/45/44/1051854544.db2.gz JYUIEOWGLMJNQK-NMNUPHIUSA-N 2 2 345.490 4.073 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973112 1051854547 /nfs/dbraw/zinc/85/45/47/1051854547.db2.gz JYUIEOWGLMJNQK-NMNUPHIUSA-N 2 2 345.490 4.073 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866261633 1053667459 /nfs/dbraw/zinc/66/74/59/1053667459.db2.gz XSYCIPZUVRVZBH-ZDUSSCGKSA-N 2 2 333.863 4.172 20 30 EIEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866267234 1053669688 /nfs/dbraw/zinc/66/96/88/1053669688.db2.gz BVMBUFLLLLGSSW-DLBZAZTESA-N 2 2 349.478 4.140 20 30 EIEDLP C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341758447 1024616611 /nfs/dbraw/zinc/61/66/11/1024616611.db2.gz PNEYTHWXYKGMEI-ZHRRBRCNSA-N 2 2 342.446 4.472 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000520228024 1027349973 /nfs/dbraw/zinc/34/99/73/1027349973.db2.gz OMAXQTLHIRZKFE-UHFFFAOYSA-N 2 2 342.527 4.386 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735349 1029750212 /nfs/dbraw/zinc/75/02/12/1029750212.db2.gz MZKAYDCTFAHEMI-JTSKRJEESA-N 2 2 348.494 4.220 20 30 EIEDLP C=CCCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000658096779 1030823185 /nfs/dbraw/zinc/82/31/85/1030823185.db2.gz UHIJTKSATGYALQ-UHFFFAOYSA-N 2 2 327.516 4.162 20 30 EIEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787693 1030943612 /nfs/dbraw/zinc/94/36/12/1030943612.db2.gz HOBZIUKTQHMTTQ-UXHICEINSA-N 2 2 339.483 4.184 20 30 EIEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787693 1030943649 /nfs/dbraw/zinc/94/36/49/1030943649.db2.gz HOBZIUKTQHMTTQ-UXHICEINSA-N 2 2 339.483 4.184 20 30 EIEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988647 1031896427 /nfs/dbraw/zinc/89/64/27/1031896427.db2.gz XBPNYLHOHRMCCE-PKTZIBPZSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988647 1031896436 /nfs/dbraw/zinc/89/64/36/1031896436.db2.gz XBPNYLHOHRMCCE-PKTZIBPZSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988647 1031896437 /nfs/dbraw/zinc/89/64/37/1031896437.db2.gz XBPNYLHOHRMCCE-PKTZIBPZSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988647 1031896458 /nfs/dbraw/zinc/89/64/58/1031896458.db2.gz XBPNYLHOHRMCCE-PKTZIBPZSA-N 2 2 345.490 4.045 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000151149731 1034823210 /nfs/dbraw/zinc/82/32/10/1034823210.db2.gz QFCYRGOZBXKOFJ-AWEZNQCLSA-N 2 2 334.398 4.042 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681835 1036570711 /nfs/dbraw/zinc/57/07/11/1036570711.db2.gz NBXGILSVCAEQDS-SIKLNZKXSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681835 1036570748 /nfs/dbraw/zinc/57/07/48/1036570748.db2.gz NBXGILSVCAEQDS-SIKLNZKXSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)c1 ZINC000593691797 1036895877 /nfs/dbraw/zinc/89/58/77/1036895877.db2.gz LYKAXJXMTVMKKN-UHFFFAOYSA-N 2 2 345.490 4.190 20 30 EIEDLP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693148 1036898232 /nfs/dbraw/zinc/89/82/32/1036898232.db2.gz QTNRVRIVLDOKSX-UWJYYQICSA-N 2 2 337.511 4.105 20 30 EIEDLP Cc1ccccc1C1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000592372517 1037905141 /nfs/dbraw/zinc/90/51/41/1037905141.db2.gz CYNNRXTZKRNSIV-UHFFFAOYSA-N 2 2 345.490 4.110 20 30 EIEDLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540591060 1041548155 /nfs/dbraw/zinc/54/81/55/1041548155.db2.gz FFZIVOYRINLVMC-FCHUYYIVSA-N 2 2 339.527 4.327 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024256 1044607208 /nfs/dbraw/zinc/60/72/08/1044607208.db2.gz CWGJGZIOXQQKFW-JHDGKUDLSA-N 2 2 332.491 4.069 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024256 1044607217 /nfs/dbraw/zinc/60/72/17/1044607217.db2.gz CWGJGZIOXQQKFW-JHDGKUDLSA-N 2 2 332.491 4.069 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156990758 1045123991 /nfs/dbraw/zinc/12/39/91/1045123991.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156990758 1045124004 /nfs/dbraw/zinc/12/40/04/1045124004.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156990758 1045124036 /nfs/dbraw/zinc/12/40/36/1045124036.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156990758 1045124052 /nfs/dbraw/zinc/12/40/52/1045124052.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1[NH+](C)C ZINC001171277294 1049021894 /nfs/dbraw/zinc/02/18/94/1049021894.db2.gz KFHHJUPUTJBKLG-UHFFFAOYSA-N 2 2 348.494 4.031 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000237658108 1049693323 /nfs/dbraw/zinc/69/33/23/1049693323.db2.gz GLDQYRWLGAANRH-UHFFFAOYSA-N 2 2 330.859 4.340 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC3CCCC3)CC2)cc1 ZINC000181430884 1050122235 /nfs/dbraw/zinc/12/22/35/1050122235.db2.gz AYARAIYXCORMNB-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181778911 1050329219 /nfs/dbraw/zinc/32/92/19/1050329219.db2.gz WXPSOJAESVVZDW-LJQANCHMSA-N 2 2 347.506 4.224 20 30 EIEDLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570143 1050418780 /nfs/dbraw/zinc/41/87/80/1050418780.db2.gz RJQKFMSBFBMEHH-RTWAWAEBSA-N 2 2 344.462 4.316 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000152966235 1050912944 /nfs/dbraw/zinc/91/29/44/1050912944.db2.gz ZDGFNMNUKJCWPA-AWEZNQCLSA-N 2 2 337.305 4.140 20 30 EIEDLP CCCCCCCCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201852870 1054923953 /nfs/dbraw/zinc/92/39/53/1054923953.db2.gz PNRASTFPMMCHRZ-UHFFFAOYSA-N 2 2 344.503 4.418 20 30 EIEDLP CCCCCCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201852870 1054923966 /nfs/dbraw/zinc/92/39/66/1054923966.db2.gz PNRASTFPMMCHRZ-UHFFFAOYSA-N 2 2 344.503 4.418 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCC)c2OCCC)CC1 ZINC000106246233 1054939370 /nfs/dbraw/zinc/93/93/70/1054939370.db2.gz KEBBGRSSSKMCCU-UHFFFAOYSA-N 2 2 346.515 4.004 20 30 EIEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000532987191 1032429256 /nfs/dbraw/zinc/42/92/56/1032429256.db2.gz XOKVCZCGCRLJOS-INIZCTEOSA-N 2 2 337.442 4.013 20 30 EIEDLP Cc1cccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)c1 ZINC000134765229 1019968827 /nfs/dbraw/zinc/96/88/27/1019968827.db2.gz VMGSOIDYXKIVKX-INIZCTEOSA-N 2 2 339.508 4.243 20 30 EIEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCc2ccccc21 ZINC001167179332 1020489236 /nfs/dbraw/zinc/48/92/36/1020489236.db2.gz ZRPTTYGBJXSETK-HSZRJFAPSA-N 2 2 341.458 4.303 20 30 EIEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCc2ccccc21 ZINC001167179332 1020489239 /nfs/dbraw/zinc/48/92/39/1020489239.db2.gz ZRPTTYGBJXSETK-HSZRJFAPSA-N 2 2 341.458 4.303 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964326 1021048947 /nfs/dbraw/zinc/04/89/47/1021048947.db2.gz POBZZPASVJMKCV-HOTGVXAUSA-N 2 2 339.508 4.496 20 30 EIEDLP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983098 1022721667 /nfs/dbraw/zinc/72/16/67/1022721667.db2.gz SYHFTYVLAQAXEI-RBBKRZOGSA-N 2 2 339.527 4.327 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000431339871 1026035669 /nfs/dbraw/zinc/03/56/69/1026035669.db2.gz ZKXKBOCTNWCUSG-FQEVSTJZSA-N 2 2 328.500 4.264 20 30 EIEDLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000346129724 1028269858 /nfs/dbraw/zinc/26/98/58/1028269858.db2.gz GWTHUSRFIHEKAF-OAHLLOKOSA-N 2 2 336.464 4.389 20 30 EIEDLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000346129724 1028269876 /nfs/dbraw/zinc/26/98/76/1028269876.db2.gz GWTHUSRFIHEKAF-OAHLLOKOSA-N 2 2 336.464 4.389 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189169083 1030455256 /nfs/dbraw/zinc/45/52/56/1030455256.db2.gz LUWQGYWEXOPWNY-UHFFFAOYSA-N 2 2 332.797 4.099 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449127096 1031464469 /nfs/dbraw/zinc/46/44/69/1031464469.db2.gz WDIRIUYGPHUFHM-UHFFFAOYSA-N 3 2 349.607 4.296 20 30 EIEDLP C=CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453386439 1031896637 /nfs/dbraw/zinc/89/66/37/1031896637.db2.gz VJOCSYDGKSZZJT-QUCCMNQESA-N 2 2 327.516 4.018 20 30 EIEDLP C=CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453386439 1031896641 /nfs/dbraw/zinc/89/66/41/1031896641.db2.gz VJOCSYDGKSZZJT-QUCCMNQESA-N 2 2 327.516 4.018 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC1 ZINC000572184187 1036459837 /nfs/dbraw/zinc/45/98/37/1036459837.db2.gz QCFLPZGIQFAVHQ-QGZVFWFLSA-N 2 2 339.527 4.464 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489466726 1038063338 /nfs/dbraw/zinc/06/33/38/1038063338.db2.gz RWVXIGYPFPJFJG-NRFANRHFSA-N 2 2 340.511 4.019 20 30 EIEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000090665635 1039276802 /nfs/dbraw/zinc/27/68/02/1039276802.db2.gz SVVRHSVGSGYLFH-OAQYLSRUSA-N 2 2 325.500 4.418 20 30 EIEDLP C=CCC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283405 1039346972 /nfs/dbraw/zinc/34/69/72/1039346972.db2.gz DEKWFRQSWUKSPN-GHTZIAJQSA-N 2 2 342.527 4.221 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050068 1039915366 /nfs/dbraw/zinc/91/53/66/1039915366.db2.gz DGPFSUUOJHTRCP-LEWJYISDSA-N 2 2 336.479 4.177 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050068 1039915393 /nfs/dbraw/zinc/91/53/93/1039915393.db2.gz DGPFSUUOJHTRCP-LEWJYISDSA-N 2 2 336.479 4.177 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628601 1040394286 /nfs/dbraw/zinc/39/42/86/1040394286.db2.gz LCPYIOJWDHLOIK-AZUAARDMSA-N 2 2 346.490 4.101 20 30 EIEDLP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539494938 1040470581 /nfs/dbraw/zinc/47/05/81/1040470581.db2.gz VYINLTGFGPZGDD-WIYYLYMNSA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539494936 1040471224 /nfs/dbraw/zinc/47/12/24/1040471224.db2.gz VYINLTGFGPZGDD-NQIIRXRSSA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934922 1041069548 /nfs/dbraw/zinc/06/95/48/1041069548.db2.gz YUQFKEMVMBHNDM-NFBKMPQASA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934922 1041069569 /nfs/dbraw/zinc/06/95/69/1041069569.db2.gz YUQFKEMVMBHNDM-NFBKMPQASA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934922 1041069588 /nfs/dbraw/zinc/06/95/88/1041069588.db2.gz YUQFKEMVMBHNDM-NFBKMPQASA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934922 1041069606 /nfs/dbraw/zinc/06/96/06/1041069606.db2.gz YUQFKEMVMBHNDM-NFBKMPQASA-N 2 2 332.491 4.023 20 30 EIEDLP CCCC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538397035 1041316603 /nfs/dbraw/zinc/31/66/03/1041316603.db2.gz MZCWZSRBCCFIFD-UHFFFAOYSA-N 2 2 339.527 4.471 20 30 EIEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCCC1 ZINC000540655330 1041579389 /nfs/dbraw/zinc/57/93/89/1041579389.db2.gz QFYJGCURFFLWCX-UHFFFAOYSA-N 2 2 339.527 4.473 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574904 1043803102 /nfs/dbraw/zinc/80/31/02/1043803102.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574904 1043803104 /nfs/dbraw/zinc/80/31/04/1043803104.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574904 1043803106 /nfs/dbraw/zinc/80/31/06/1043803106.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574904 1043803108 /nfs/dbraw/zinc/80/31/08/1043803108.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000237404671 1045963499 /nfs/dbraw/zinc/96/34/99/1045963499.db2.gz DZMIZEMKTSGESX-GOSISDBHSA-N 2 2 333.479 4.311 20 30 EIEDLP C=CCCCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000806168009 1047191350 /nfs/dbraw/zinc/19/13/50/1047191350.db2.gz RZPRUPUYBOJOPD-UHFFFAOYSA-N 2 2 325.500 4.249 20 30 EIEDLP C#CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000773117862 1049588420 /nfs/dbraw/zinc/58/84/20/1049588420.db2.gz XQCFRJCTTWELPM-HSZRJFAPSA-N 2 2 347.506 4.076 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000181849868 1050356766 /nfs/dbraw/zinc/35/67/66/1050356766.db2.gz POGNUHSTPXXTKN-RTBURBONSA-N 2 2 347.506 4.304 20 30 EIEDLP CCCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201838709 1054931189 /nfs/dbraw/zinc/93/11/89/1054931189.db2.gz DPCRZGIVZHTKBN-OYRHEFFESA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201838709 1054931201 /nfs/dbraw/zinc/93/12/01/1054931201.db2.gz DPCRZGIVZHTKBN-OYRHEFFESA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201838709 1054931210 /nfs/dbraw/zinc/93/12/10/1054931210.db2.gz DPCRZGIVZHTKBN-OYRHEFFESA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201838709 1054931221 /nfs/dbraw/zinc/93/12/21/1054931221.db2.gz DPCRZGIVZHTKBN-OYRHEFFESA-N 2 2 329.532 4.196 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc4ccccc4o3)CC2)cc1 ZINC000181554797 1023754873 /nfs/dbraw/zinc/75/48/73/1023754873.db2.gz JATUXWJPXVJVBN-UHFFFAOYSA-N 2 2 345.446 4.059 20 30 EIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998934 1025253052 /nfs/dbraw/zinc/25/30/52/1025253052.db2.gz VXWTUECUSDAQRE-AVRDEDQJSA-N 2 2 344.462 4.464 20 30 EIEDLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000447528132 1030125061 /nfs/dbraw/zinc/12/50/61/1030125061.db2.gz HADZTRZGACHUOK-OAQYLSRUSA-N 2 2 330.435 4.044 20 30 EIEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423510937 1038268036 /nfs/dbraw/zinc/26/80/36/1038268036.db2.gz SXRVPCQTJRLTFO-APKLWFBNSA-N 2 2 347.506 4.243 20 30 EIEDLP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000600175951 1039341915 /nfs/dbraw/zinc/34/19/15/1039341915.db2.gz KSPWGNBNRPBHOJ-IBGZPJMESA-N 2 2 347.506 4.224 20 30 EIEDLP C=CCC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283215 1039347684 /nfs/dbraw/zinc/34/76/84/1039347684.db2.gz DEKWFRQSWUKSPN-NQIIRXRSSA-N 2 2 342.527 4.221 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551050071 1039915653 /nfs/dbraw/zinc/91/56/53/1039915653.db2.gz DGPFSUUOJHTRCP-SFTDATJTSA-N 2 2 336.479 4.177 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551050071 1039915678 /nfs/dbraw/zinc/91/56/78/1039915678.db2.gz DGPFSUUOJHTRCP-SFTDATJTSA-N 2 2 336.479 4.177 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000539497712 1040488058 /nfs/dbraw/zinc/48/80/58/1040488058.db2.gz RXADZRSCFJJAAL-JAXLGGSGSA-N 2 2 337.511 4.081 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC000177910236 1042854004 /nfs/dbraw/zinc/85/40/04/1042854004.db2.gz JSYQZAHPGWEEER-IBGZPJMESA-N 2 2 334.507 4.447 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124063575 1044821213 /nfs/dbraw/zinc/82/12/13/1044821213.db2.gz NFNZIEQYHMRTMZ-WMZOPIPTSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000124063575 1044821217 /nfs/dbraw/zinc/82/12/17/1044821217.db2.gz NFNZIEQYHMRTMZ-WMZOPIPTSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124063575 1044821223 /nfs/dbraw/zinc/82/12/23/1044821223.db2.gz NFNZIEQYHMRTMZ-WMZOPIPTSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124063575 1044821224 /nfs/dbraw/zinc/82/12/24/1044821224.db2.gz NFNZIEQYHMRTMZ-WMZOPIPTSA-N 2 2 339.508 4.105 20 30 EIEDLP C=CCC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccco1 ZINC000476011001 1046408960 /nfs/dbraw/zinc/40/89/60/1046408960.db2.gz VNOVGKBQHRWUTL-LJQANCHMSA-N 2 2 335.451 4.364 20 30 EIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000536662361 1046630225 /nfs/dbraw/zinc/63/02/25/1046630225.db2.gz SMKBNCKMXADGSB-SFHVURJKSA-N 2 2 348.918 4.355 20 30 EIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000536662361 1046630232 /nfs/dbraw/zinc/63/02/32/1046630232.db2.gz SMKBNCKMXADGSB-SFHVURJKSA-N 2 2 348.918 4.355 20 30 EIEDLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537292262 1047075831 /nfs/dbraw/zinc/07/58/31/1047075831.db2.gz HHZJJYBZEUGQDK-DYESRHJHSA-N 2 2 339.527 4.327 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000236689663 1048833182 /nfs/dbraw/zinc/83/31/82/1048833182.db2.gz JJWMVEGIYUGQQT-UHFFFAOYSA-N 2 2 338.442 4.035 20 30 EIEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954544 1049067298 /nfs/dbraw/zinc/06/72/98/1049067298.db2.gz YNGYNOCMEHWTIY-HRAATJIYSA-N 2 2 337.467 4.063 20 30 EIEDLP C#CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000773117777 1049589234 /nfs/dbraw/zinc/58/92/34/1049589234.db2.gz WRVCGUYBYHZMKP-HSZRJFAPSA-N 2 2 332.491 4.048 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000091334229 1050252559 /nfs/dbraw/zinc/25/25/59/1050252559.db2.gz NHGCXFODYSHVHP-NRFANRHFSA-N 2 2 328.500 4.167 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000181807672 1050339635 /nfs/dbraw/zinc/33/96/35/1050339635.db2.gz UENOXICCMUBRLD-QGZVFWFLSA-N 2 2 325.500 4.081 20 30 EIEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591456 1050495455 /nfs/dbraw/zinc/49/54/55/1050495455.db2.gz KGUAOHUHUICLHK-UHFFFAOYSA-N 2 2 343.490 4.161 20 30 EIEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898028 1052622071 /nfs/dbraw/zinc/62/20/71/1052622071.db2.gz WORQPIXFNQWBKR-VXKWHMMOSA-N 2 2 342.446 4.144 20 30 EIEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898028 1052622076 /nfs/dbraw/zinc/62/20/76/1052622076.db2.gz WORQPIXFNQWBKR-VXKWHMMOSA-N 2 2 342.446 4.144 20 30 EIEDLP CCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201815189 1054916091 /nfs/dbraw/zinc/91/60/91/1054916091.db2.gz YQCNGFCJSPYSDO-NHCUHLMSSA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201815189 1054916105 /nfs/dbraw/zinc/91/61/05/1054916105.db2.gz YQCNGFCJSPYSDO-NHCUHLMSSA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201815189 1054916126 /nfs/dbraw/zinc/91/61/26/1054916126.db2.gz YQCNGFCJSPYSDO-NHCUHLMSSA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201815189 1054916142 /nfs/dbraw/zinc/91/61/42/1054916142.db2.gz YQCNGFCJSPYSDO-NHCUHLMSSA-N 2 2 329.532 4.196 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OCC)c(OCC)c2)CC1 ZINC000177912813 1032513559 /nfs/dbraw/zinc/51/35/59/1032513559.db2.gz XXOGZJZNBBCEGK-IBGZPJMESA-N 2 2 346.515 4.175 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000377837932 1022042928 /nfs/dbraw/zinc/04/29/28/1022042928.db2.gz SSVGKLGBHYQXOZ-MRXNPFEDSA-N 2 2 345.874 4.077 20 30 EIEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716662 1024255159 /nfs/dbraw/zinc/25/51/59/1024255159.db2.gz DRHJMCMZHRNCTH-SBHAEUEKSA-N 2 2 342.527 4.221 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998937 1025252342 /nfs/dbraw/zinc/25/23/42/1025252342.db2.gz VXWTUECUSDAQRE-XMSQKQJNSA-N 2 2 344.462 4.464 20 30 EIEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507645524 1026863697 /nfs/dbraw/zinc/86/36/97/1026863697.db2.gz RWIFCENIZOEJFE-ORFBVSJDSA-N 2 2 339.527 4.245 20 30 EIEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507645524 1026863700 /nfs/dbraw/zinc/86/37/00/1026863700.db2.gz RWIFCENIZOEJFE-ORFBVSJDSA-N 2 2 339.527 4.245 20 30 EIEDLP CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000449070622 1031422675 /nfs/dbraw/zinc/42/26/75/1031422675.db2.gz KUSSOVQMRYGOMY-ORFBVSJDSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000449070622 1031422690 /nfs/dbraw/zinc/42/26/90/1031422690.db2.gz KUSSOVQMRYGOMY-ORFBVSJDSA-N 2 2 339.527 4.131 20 30 EIEDLP CC1(C#N)CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000449352476 1031650911 /nfs/dbraw/zinc/65/09/11/1031650911.db2.gz VZPZNGWQCWBABW-UHFFFAOYSA-N 2 2 328.847 4.088 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894229652 1035002167 /nfs/dbraw/zinc/00/21/67/1035002167.db2.gz WGYKWVBQPZTEKJ-UHFFFAOYSA-N 2 2 335.904 4.080 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000594988714 1035519265 /nfs/dbraw/zinc/51/92/65/1035519265.db2.gz BWHUWJGWKHLPBI-DZIBYMRMSA-N 2 2 343.490 4.029 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681834 1036573399 /nfs/dbraw/zinc/57/33/99/1036573399.db2.gz NBXGILSVCAEQDS-KNQAVFIVSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681834 1036573412 /nfs/dbraw/zinc/57/34/12/1036573412.db2.gz NBXGILSVCAEQDS-KNQAVFIVSA-N 2 2 349.453 4.155 20 30 EIEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000160009084 1040302308 /nfs/dbraw/zinc/30/23/08/1040302308.db2.gz PFUCZADYSJWTGY-GOSISDBHSA-N 2 2 348.494 4.253 20 30 EIEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000160009084 1040302317 /nfs/dbraw/zinc/30/23/17/1040302317.db2.gz PFUCZADYSJWTGY-GOSISDBHSA-N 2 2 348.494 4.253 20 30 EIEDLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000237527402 1040551603 /nfs/dbraw/zinc/55/16/03/1040551603.db2.gz RXKXHARPCNGXDA-SFHVURJKSA-N 2 2 333.479 4.311 20 30 EIEDLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540594067 1041550625 /nfs/dbraw/zinc/55/06/25/1041550625.db2.gz DGMXZECBYKSOJY-UNMCSNQZSA-N 2 2 339.527 4.471 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000177914186 1042854653 /nfs/dbraw/zinc/85/46/53/1042854653.db2.gz BYVPUUWQHBUHTQ-INIZCTEOSA-N 2 2 325.283 4.221 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009041 1043089912 /nfs/dbraw/zinc/08/99/12/1043089912.db2.gz YNIGHYUCOUJOEV-OPVJXMOQSA-N 2 2 325.500 4.102 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009041 1043089922 /nfs/dbraw/zinc/08/99/22/1043089922.db2.gz YNIGHYUCOUJOEV-OPVJXMOQSA-N 2 2 325.500 4.102 20 30 EIEDLP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537306698 1047090464 /nfs/dbraw/zinc/09/04/64/1047090464.db2.gz MCUIKLUDNWORGW-HSZRJFAPSA-N 2 2 345.490 4.108 20 30 EIEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001171211410 1048808416 /nfs/dbraw/zinc/80/84/16/1048808416.db2.gz ZDDCOZIAPSAZPD-IBGZPJMESA-N 2 2 347.506 4.086 20 30 EIEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001171211410 1048808422 /nfs/dbraw/zinc/80/84/22/1048808422.db2.gz ZDDCOZIAPSAZPD-IBGZPJMESA-N 2 2 347.506 4.086 20 30 EIEDLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181594134 1050236604 /nfs/dbraw/zinc/23/66/04/1050236604.db2.gz LGVMMISDRZKZLL-NRFANRHFSA-N 2 2 347.506 4.306 20 30 EIEDLP C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001178408770 1050463269 /nfs/dbraw/zinc/46/32/69/1050463269.db2.gz GRSQAMWFXOJDAD-QGZVFWFLSA-N 2 2 333.435 4.288 20 30 EIEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000619754577 1050882637 /nfs/dbraw/zinc/88/26/37/1050882637.db2.gz DSKRKHOJJHIWIK-AWEZNQCLSA-N 2 2 336.826 4.248 20 30 EIEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169009580 1060576533 /nfs/dbraw/zinc/57/65/33/1060576533.db2.gz RNFCXBOPLQHHDO-NRFANRHFSA-N 2 2 346.478 4.312 20 30 EIEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169009580 1060576553 /nfs/dbraw/zinc/57/65/53/1060576553.db2.gz RNFCXBOPLQHHDO-NRFANRHFSA-N 2 2 346.478 4.312 20 30 EIEDLP N#CCCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000340445876 1021042185 /nfs/dbraw/zinc/04/21/85/1021042185.db2.gz LXKPMBJOKMTSMY-FQEVSTJZSA-N 2 2 334.467 4.075 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964368 1021048567 /nfs/dbraw/zinc/04/85/67/1021048567.db2.gz POBZZPASVJMKCV-CVEARBPZSA-N 2 2 339.508 4.496 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428354158 1027486800 /nfs/dbraw/zinc/48/68/00/1027486800.db2.gz XXAPMBSTJZOVLI-AWEZNQCLSA-N 2 2 334.398 4.042 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](c4ccccc4)C3)CC2)cc1 ZINC000280896467 1028262698 /nfs/dbraw/zinc/26/26/98/1028262698.db2.gz QQQPFXOUVKXJMY-AFARHQOCSA-N 2 2 345.490 4.058 20 30 EIEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787695 1030941748 /nfs/dbraw/zinc/94/17/48/1030941748.db2.gz HOBZIUKTQHMTTQ-VQTJNVASSA-N 2 2 339.483 4.184 20 30 EIEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787695 1030941773 /nfs/dbraw/zinc/94/17/73/1030941773.db2.gz HOBZIUKTQHMTTQ-VQTJNVASSA-N 2 2 339.483 4.184 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000365200180 1031553816 /nfs/dbraw/zinc/55/38/16/1031553816.db2.gz VXPMBYBMGPRDFK-HXUWFJFHSA-N 2 2 339.508 4.325 20 30 EIEDLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000449465037 1031785433 /nfs/dbraw/zinc/78/54/33/1031785433.db2.gz ATMZKQOYJFCGNM-FQEVSTJZSA-N 2 2 327.516 4.327 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980939 1035516648 /nfs/dbraw/zinc/51/66/48/1035516648.db2.gz DLHUPDWPKPUONU-QUCCMNQESA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000594980939 1035516671 /nfs/dbraw/zinc/51/66/71/1035516671.db2.gz DLHUPDWPKPUONU-QUCCMNQESA-N 2 2 325.500 4.103 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540248 1036489600 /nfs/dbraw/zinc/48/96/00/1036489600.db2.gz YAWIOGQOJVJFGR-SIKLNZKXSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540248 1036489605 /nfs/dbraw/zinc/48/96/05/1036489605.db2.gz YAWIOGQOJVJFGR-SIKLNZKXSA-N 2 2 349.453 4.155 20 30 EIEDLP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692999 1036893110 /nfs/dbraw/zinc/89/31/10/1036893110.db2.gz LAOUVWYOKIYHKY-XMHGGMMESA-N 2 2 345.490 4.216 20 30 EIEDLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693411 1036898315 /nfs/dbraw/zinc/89/83/15/1036898315.db2.gz XVBXAZAOGSQDOK-GCJKJVERSA-N 2 2 337.511 4.105 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608073928 1038494269 /nfs/dbraw/zinc/49/42/69/1038494269.db2.gz PRAQCPHXANKGSM-OAQYLSRUSA-N 2 2 347.462 4.059 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934925 1041070129 /nfs/dbraw/zinc/07/01/29/1041070129.db2.gz YUQFKEMVMBHNDM-REWPJTCUSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934925 1041070144 /nfs/dbraw/zinc/07/01/44/1041070144.db2.gz YUQFKEMVMBHNDM-REWPJTCUSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934925 1041070157 /nfs/dbraw/zinc/07/01/57/1041070157.db2.gz YUQFKEMVMBHNDM-REWPJTCUSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934925 1041070168 /nfs/dbraw/zinc/07/01/68/1041070168.db2.gz YUQFKEMVMBHNDM-REWPJTCUSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243824 1041451364 /nfs/dbraw/zinc/45/13/64/1041451364.db2.gz UMSBRPGUYCNXNZ-BJLQDIEVSA-N 2 2 325.500 4.322 20 30 EIEDLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463283494 1041472403 /nfs/dbraw/zinc/47/24/03/1041472403.db2.gz UBDZIZAESMCKNW-FQEVSTJZSA-N 2 2 325.500 4.081 20 30 EIEDLP CC(C)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000463287601 1041486800 /nfs/dbraw/zinc/48/68/00/1041486800.db2.gz JJIDEUBKNVXHMG-UHFFFAOYSA-N 2 2 347.506 4.436 20 30 EIEDLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540606626 1041561526 /nfs/dbraw/zinc/56/15/26/1041561526.db2.gz OJMLCLUOEWMMGT-UZUQRXQVSA-N 2 2 345.490 4.046 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CC1 ZINC000177905076 1042853772 /nfs/dbraw/zinc/85/37/72/1042853772.db2.gz WNHDAUYWNKRHSV-AWEZNQCLSA-N 2 2 340.483 4.345 20 30 EIEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170369493 1046018366 /nfs/dbraw/zinc/01/83/66/1046018366.db2.gz WMHBGUSGBXFUHX-KPQWGBOZSA-N 2 2 339.527 4.101 20 30 EIEDLP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537295798 1047078960 /nfs/dbraw/zinc/07/89/60/1047078960.db2.gz PUHMPPDCMJOQPC-LJQANCHMSA-N 2 2 347.506 4.490 20 30 EIEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000845944258 1048770253 /nfs/dbraw/zinc/77/02/53/1048770253.db2.gz NZTDOXRKUQSPHQ-IEBWSBKVSA-N 2 2 327.516 4.056 20 30 EIEDLP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181603838 1050249534 /nfs/dbraw/zinc/24/95/34/1050249534.db2.gz RBMIQDIVOQVMIQ-IBGZPJMESA-N 2 2 347.506 4.052 20 30 EIEDLP C=CCCC(C)(C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001179232540 1050655451 /nfs/dbraw/zinc/65/54/51/1050655451.db2.gz FOFRVLSDVTXWPQ-UHFFFAOYSA-N 2 2 347.890 4.450 20 30 EIEDLP C[N@@H+]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309758 1020750822 /nfs/dbraw/zinc/75/08/22/1020750822.db2.gz XFEPAIKEXORDEJ-BHDDXSALSA-N 2 2 333.479 4.457 20 30 EIEDLP C[N@H+]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309758 1020750831 /nfs/dbraw/zinc/75/08/31/1020750831.db2.gz XFEPAIKEXORDEJ-BHDDXSALSA-N 2 2 333.479 4.457 20 30 EIEDLP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538397989 1025388724 /nfs/dbraw/zinc/38/87/24/1025388724.db2.gz IKIBLHFSHOGATD-FPOVZHCZSA-N 2 2 325.500 4.081 20 30 EIEDLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000346129722 1028268455 /nfs/dbraw/zinc/26/84/55/1028268455.db2.gz GWTHUSRFIHEKAF-HNNXBMFYSA-N 2 2 336.464 4.389 20 30 EIEDLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000346129722 1028268473 /nfs/dbraw/zinc/26/84/73/1028268473.db2.gz GWTHUSRFIHEKAF-HNNXBMFYSA-N 2 2 336.464 4.389 20 30 EIEDLP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449442163 1031764974 /nfs/dbraw/zinc/76/49/74/1031764974.db2.gz JZBASDZJOHIMJQ-SFHVURJKSA-N 2 2 325.500 4.247 20 30 EIEDLP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538397990 1041316821 /nfs/dbraw/zinc/31/68/21/1041316821.db2.gz IKIBLHFSHOGATD-PZJWPPBQSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000463237228 1041444983 /nfs/dbraw/zinc/44/49/83/1041444983.db2.gz LIRXBWNZEKSVBC-DBXWQHBBSA-N 2 2 339.527 4.185 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318565 1044830910 /nfs/dbraw/zinc/83/09/10/1044830910.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318565 1044830914 /nfs/dbraw/zinc/83/09/14/1044830914.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318565 1044830915 /nfs/dbraw/zinc/83/09/15/1044830915.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318565 1044830916 /nfs/dbraw/zinc/83/09/16/1044830916.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 2 2 339.508 4.105 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820809691 1049553506 /nfs/dbraw/zinc/55/35/06/1049553506.db2.gz GQQNWGVHBOVKJU-FQEVSTJZSA-N 2 2 344.886 4.457 20 30 EIEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172316796 1049876280 /nfs/dbraw/zinc/87/62/80/1049876280.db2.gz XRFFDHIAYDFPAM-LJQANCHMSA-N 2 2 347.506 4.086 20 30 EIEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172316796 1049876285 /nfs/dbraw/zinc/87/62/85/1049876285.db2.gz XRFFDHIAYDFPAM-LJQANCHMSA-N 2 2 347.506 4.086 20 30 EIEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173334451 1050425507 /nfs/dbraw/zinc/42/55/07/1050425507.db2.gz RZJSSDKDIXJNNL-UHFFFAOYSA-N 2 2 343.490 4.161 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC001179044689 1050615973 /nfs/dbraw/zinc/61/59/73/1050615973.db2.gz NFJGNHNDYTUNHM-ROUUACIJSA-N 2 2 334.891 4.011 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC001179044689 1050615976 /nfs/dbraw/zinc/61/59/76/1050615976.db2.gz NFJGNHNDYTUNHM-ROUUACIJSA-N 2 2 334.891 4.011 20 30 EIEDLP CC[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001179053389 1050618413 /nfs/dbraw/zinc/61/84/13/1050618413.db2.gz KYWBGISAAWRCPR-AZUAARDMSA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866267236 1053668699 /nfs/dbraw/zinc/66/86/99/1053668699.db2.gz BVMBUFLLLLGSSW-IRXDYDNUSA-N 2 2 349.478 4.140 20 30 EIEDLP CN(C)c1cc[nH+]cc1C=[NH+]N(Cc1ccccc1)Cc1ccccc1 ZINC000776186396 1054804101 /nfs/dbraw/zinc/80/41/01/1054804101.db2.gz YCMIYPNHFZEOHC-UHFFFAOYSA-N 2 2 344.462 4.184 20 30 EIEDLP C[NH+](Cc1ccoc1)Cc1cc(C#N)cc(C[N@H+](C)Cc2ccoc2)c1 ZINC000877989294 1055168976 /nfs/dbraw/zinc/16/89/76/1055168976.db2.gz WSYACOCRGDQHNB-UHFFFAOYSA-N 2 2 349.434 4.008 20 30 EIEDLP C[NH+](Cc1ccoc1)Cc1cc(C#N)cc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000877989294 1055168984 /nfs/dbraw/zinc/16/89/84/1055168984.db2.gz WSYACOCRGDQHNB-UHFFFAOYSA-N 2 2 349.434 4.008 20 30 EIEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000532987192 1032428826 /nfs/dbraw/zinc/42/88/26/1032428826.db2.gz XOKVCZCGCRLJOS-MRXNPFEDSA-N 2 2 337.442 4.013 20 30 EIEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)s2)CC1 ZINC000134964350 1021048627 /nfs/dbraw/zinc/04/86/27/1021048627.db2.gz POBZZPASVJMKCV-JKSUJKDBSA-N 2 2 339.508 4.496 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000177905598 1022826744 /nfs/dbraw/zinc/82/67/44/1022826744.db2.gz QBLLOSRHCUTOSN-QGZVFWFLSA-N 2 2 345.506 4.117 20 30 EIEDLP CC1(C)CCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203209299 1022989991 /nfs/dbraw/zinc/98/99/91/1022989991.db2.gz ZFPHTDLUQRCGGB-HXUWFJFHSA-N 2 2 339.527 4.329 20 30 EIEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790267 1024023556 /nfs/dbraw/zinc/02/35/56/1024023556.db2.gz POTRMAPGQAGGEF-OBTMHIKCSA-N 2 2 330.438 4.126 20 30 EIEDLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587638 1026477100 /nfs/dbraw/zinc/47/71/00/1026477100.db2.gz KMMXLCBQIPHZAN-MGPUTAFESA-N 2 2 348.425 4.065 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000536302065 1027860768 /nfs/dbraw/zinc/86/07/68/1027860768.db2.gz JXQHSSPNFFLFSS-KRWDZBQOSA-N 2 2 325.283 4.221 20 30 EIEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787671 1030941920 /nfs/dbraw/zinc/94/19/20/1030941920.db2.gz HOBZIUKTQHMTTQ-PMACEKPBSA-N 2 2 339.483 4.184 20 30 EIEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787671 1030941944 /nfs/dbraw/zinc/94/19/44/1030941944.db2.gz HOBZIUKTQHMTTQ-PMACEKPBSA-N 2 2 339.483 4.184 20 30 EIEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988645 1031897034 /nfs/dbraw/zinc/89/70/34/1031897034.db2.gz XBPNYLHOHRMCCE-DHIUTWEWSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988645 1031897042 /nfs/dbraw/zinc/89/70/42/1031897042.db2.gz XBPNYLHOHRMCCE-DHIUTWEWSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988645 1031897050 /nfs/dbraw/zinc/89/70/50/1031897050.db2.gz XBPNYLHOHRMCCE-DHIUTWEWSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988645 1031897053 /nfs/dbraw/zinc/89/70/53/1031897053.db2.gz XBPNYLHOHRMCCE-DHIUTWEWSA-N 2 2 345.490 4.045 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512659356 1033646408 /nfs/dbraw/zinc/64/64/08/1033646408.db2.gz FZPGVLRNMMNLNE-INIZCTEOSA-N 2 2 337.442 4.013 20 30 EIEDLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595089940 1035596376 /nfs/dbraw/zinc/59/63/76/1035596376.db2.gz AMARFKSEVSMYQY-IBGZPJMESA-N 2 2 339.527 4.146 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000424209363 1038728312 /nfs/dbraw/zinc/72/83/12/1038728312.db2.gz UDJRRZLSOAKSMJ-RBBKRZOGSA-N 2 2 337.511 4.081 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000539497713 1040489023 /nfs/dbraw/zinc/48/90/23/1040489023.db2.gz RXADZRSCFJJAAL-KCZVDYSFSA-N 2 2 337.511 4.081 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3=CCCCCC3)CC2)cc1 ZINC000463266211 1041462430 /nfs/dbraw/zinc/46/24/30/1041462430.db2.gz LMAIIRZSMPVVFR-UHFFFAOYSA-N 2 2 337.511 4.393 20 30 EIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609152 1041561707 /nfs/dbraw/zinc/56/17/07/1041561707.db2.gz DKKTWCVJXMNQRC-GCJKJVERSA-N 2 2 344.462 4.464 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000271844199 1042449359 /nfs/dbraw/zinc/44/93/59/1042449359.db2.gz HMOAXXFLQXURCU-UHFFFAOYSA-N 2 2 345.446 4.059 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000177911012 1042854696 /nfs/dbraw/zinc/85/46/96/1042854696.db2.gz YMOCWONYCZRAMW-GUYCJALGSA-N 2 2 349.316 4.237 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574899 1043803480 /nfs/dbraw/zinc/80/34/80/1043803480.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574899 1043803483 /nfs/dbraw/zinc/80/34/83/1043803483.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574899 1043803485 /nfs/dbraw/zinc/80/34/85/1043803485.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574899 1043803486 /nfs/dbraw/zinc/80/34/86/1043803486.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156990913 1045122468 /nfs/dbraw/zinc/12/24/68/1045122468.db2.gz KSSLMNHZJNIHOF-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156990913 1045122483 /nfs/dbraw/zinc/12/24/83/1045122483.db2.gz KSSLMNHZJNIHOF-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156990913 1045122504 /nfs/dbraw/zinc/12/25/04/1045122504.db2.gz KSSLMNHZJNIHOF-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156990913 1045122520 /nfs/dbraw/zinc/12/25/20/1045122520.db2.gz KSSLMNHZJNIHOF-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465794 1045312905 /nfs/dbraw/zinc/31/29/05/1045312905.db2.gz UYHPYDIMBTUATR-FOIQADDNSA-N 2 2 348.425 4.065 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000556583761 1047832171 /nfs/dbraw/zinc/83/21/71/1047832171.db2.gz LHRQZJOEPFETJK-OAHLLOKOSA-N 2 2 336.907 4.428 20 30 EIEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172069620 1049852485 /nfs/dbraw/zinc/85/24/85/1049852485.db2.gz VXSWURBFOWBBHX-MZADTFQBSA-N 2 2 337.511 4.246 20 30 EIEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172069620 1049852487 /nfs/dbraw/zinc/85/24/87/1049852487.db2.gz VXSWURBFOWBBHX-MZADTFQBSA-N 2 2 337.511 4.246 20 30 EIEDLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570144 1050419032 /nfs/dbraw/zinc/41/90/32/1050419032.db2.gz RJQKFMSBFBMEHH-SFTDATJTSA-N 2 2 344.462 4.316 20 30 EIEDLP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618804749 1050534476 /nfs/dbraw/zinc/53/44/76/1050534476.db2.gz LTCFWMPFQSZDEQ-BTYIYWSLSA-N 2 2 328.419 4.082 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854944 /nfs/dbraw/zinc/85/49/44/1051854944.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 2 2 345.490 4.073 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854946 /nfs/dbraw/zinc/85/49/46/1051854946.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 2 2 345.490 4.073 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854953 /nfs/dbraw/zinc/85/49/53/1051854953.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 2 2 345.490 4.073 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854957 /nfs/dbraw/zinc/85/49/57/1051854957.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 2 2 345.490 4.073 20 30 EIEDLP CCCCCCCC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201804387 1054910740 /nfs/dbraw/zinc/91/07/40/1054910740.db2.gz JFAMNULJSMGXNK-UHFFFAOYSA-N 2 2 334.552 4.244 20 30 EIEDLP CCCCCCCC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201804387 1054910754 /nfs/dbraw/zinc/91/07/54/1054910754.db2.gz JFAMNULJSMGXNK-UHFFFAOYSA-N 2 2 334.552 4.244 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC(=C)Cl)cc2)CC1 ZINC000177914102 1021807541 /nfs/dbraw/zinc/80/75/41/1021807541.db2.gz KJIKWJFGKDQIAI-INIZCTEOSA-N 2 2 334.891 4.119 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000188721663 1022744534 /nfs/dbraw/zinc/74/45/34/1022744534.db2.gz ZPXUEGSCDHCZFL-UHFFFAOYSA-N 2 2 345.490 4.190 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510740663 1024381576 /nfs/dbraw/zinc/38/15/76/1024381576.db2.gz VVGCLPQNMJNTDL-QFIPXVFZSA-N 2 2 338.470 4.464 20 30 EIEDLP CC(C)(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000551229254 1026092625 /nfs/dbraw/zinc/09/26/25/1026092625.db2.gz QRNCBSIDXULCFM-UHFFFAOYSA-N 2 2 327.516 4.185 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C#N)cc2F)c(C)c1 ZINC000344852792 1026643323 /nfs/dbraw/zinc/64/33/23/1026643323.db2.gz WLCOFVZPUQEMHR-OAQYLSRUSA-N 2 2 348.425 4.042 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000153011024 1026937480 /nfs/dbraw/zinc/93/74/80/1026937480.db2.gz SYNKZYWOXNAXEW-IBGZPJMESA-N 2 2 326.484 4.063 20 30 EIEDLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000447562530 1030171606 /nfs/dbraw/zinc/17/16/06/1030171606.db2.gz LTTXMKNVEZDXEB-OAQYLSRUSA-N 2 2 330.435 4.044 20 30 EIEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC001168207555 1031264980 /nfs/dbraw/zinc/26/49/80/1031264980.db2.gz BEPPQLNKRLSHRE-UHFFFAOYSA-N 2 2 327.516 4.351 20 30 EIEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC001168207555 1031265000 /nfs/dbraw/zinc/26/50/00/1031265000.db2.gz BEPPQLNKRLSHRE-UHFFFAOYSA-N 2 2 327.516 4.351 20 30 EIEDLP C=CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453386436 1031897085 /nfs/dbraw/zinc/89/70/85/1031897085.db2.gz VJOCSYDGKSZZJT-ICSRJNTNSA-N 2 2 327.516 4.018 20 30 EIEDLP C=CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453386436 1031897092 /nfs/dbraw/zinc/89/70/92/1031897092.db2.gz VJOCSYDGKSZZJT-ICSRJNTNSA-N 2 2 327.516 4.018 20 30 EIEDLP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000545979507 1039940364 /nfs/dbraw/zinc/94/03/64/1039940364.db2.gz QFZLJILQWXYYLA-LJQANCHMSA-N 2 2 347.506 4.306 20 30 EIEDLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983097 1041765907 /nfs/dbraw/zinc/76/59/07/1041765907.db2.gz SYHFTYVLAQAXEI-IRLDBZIGSA-N 2 2 339.527 4.327 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000177911025 1042854225 /nfs/dbraw/zinc/85/42/25/1042854225.db2.gz YMOCWONYCZRAMW-CXAGYDPISA-N 2 2 349.316 4.237 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000356667886 1043235318 /nfs/dbraw/zinc/23/53/18/1043235318.db2.gz BGBADBXAYKWRCC-SFHVURJKSA-N 2 2 349.316 4.067 20 30 EIEDLP N#Cc1ccc(C2=CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000347996235 1044349763 /nfs/dbraw/zinc/34/97/63/1044349763.db2.gz SEMZKSFTWCOWKH-UHFFFAOYSA-N 2 2 340.430 4.033 20 30 EIEDLP N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000347996235 1044349777 /nfs/dbraw/zinc/34/97/77/1044349777.db2.gz SEMZKSFTWCOWKH-UHFFFAOYSA-N 2 2 340.430 4.033 20 30 EIEDLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397510 1046030958 /nfs/dbraw/zinc/03/09/58/1046030958.db2.gz DLDUIFHSMCEODL-UHFFFAOYSA-N 2 2 339.527 4.195 20 30 EIEDLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397510 1046030972 /nfs/dbraw/zinc/03/09/72/1046030972.db2.gz DLDUIFHSMCEODL-UHFFFAOYSA-N 2 2 339.527 4.195 20 30 EIEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000770508608 1046210182 /nfs/dbraw/zinc/21/01/82/1046210182.db2.gz BJEGIPSVVMSQLH-UHFFFAOYSA-N 2 2 347.506 4.435 20 30 EIEDLP CCC[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000770508608 1046210172 /nfs/dbraw/zinc/21/01/72/1046210172.db2.gz BJEGIPSVVMSQLH-UHFFFAOYSA-N 2 2 347.506 4.435 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810216949 1048686816 /nfs/dbraw/zinc/68/68/16/1048686816.db2.gz SYZOTSUDQQGGMZ-INIZCTEOSA-N 2 2 342.405 4.102 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]C2(CC#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977634 1049837598 /nfs/dbraw/zinc/83/75/98/1049837598.db2.gz SNIXGFKQYFWBCJ-IBGZPJMESA-N 2 2 325.500 4.246 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]C2(CC#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977634 1049837599 /nfs/dbraw/zinc/83/75/99/1049837599.db2.gz SNIXGFKQYFWBCJ-IBGZPJMESA-N 2 2 325.500 4.246 20 30 EIEDLP N#Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066006 1049851062 /nfs/dbraw/zinc/85/10/62/1049851062.db2.gz SOEVERPCBJRVCV-WBDAEOGXSA-N 2 2 345.490 4.234 20 30 EIEDLP N#Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066006 1049851067 /nfs/dbraw/zinc/85/10/67/1049851067.db2.gz SOEVERPCBJRVCV-WBDAEOGXSA-N 2 2 345.490 4.234 20 30 EIEDLP CC1(C)CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181891236 1050369550 /nfs/dbraw/zinc/36/95/50/1050369550.db2.gz KNCBUKMYXUHGAW-HXUWFJFHSA-N 2 2 325.500 4.081 20 30 EIEDLP CC1(C#N)CCC([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001173590304 1050494306 /nfs/dbraw/zinc/49/43/06/1050494306.db2.gz FRKJDAXLXQTYFU-UTZODRGISA-N 2 2 333.479 4.490 20 30 EIEDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2CCC(C)(C#N)CC2)CC1 ZINC001173596745 1050499248 /nfs/dbraw/zinc/49/92/48/1050499248.db2.gz CEXAGVOELSMPPG-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2CCC(C)(C#N)CC2)CC1 ZINC001173596745 1050499251 /nfs/dbraw/zinc/49/92/51/1050499251.db2.gz CEXAGVOELSMPPG-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP CC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001179053395 1050617427 /nfs/dbraw/zinc/61/74/27/1050617427.db2.gz KYWBGISAAWRCPR-QUCCMNQESA-N 2 2 339.527 4.329 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000152952750 1050907088 /nfs/dbraw/zinc/90/70/88/1050907088.db2.gz DHBSLJZBLZWDPB-CQSZACIVSA-N 2 2 342.405 4.276 20 30 EIEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898027 1052621869 /nfs/dbraw/zinc/62/18/69/1052621869.db2.gz WORQPIXFNQWBKR-YADHBBJMSA-N 2 2 342.446 4.144 20 30 EIEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898027 1052621874 /nfs/dbraw/zinc/62/18/74/1052621874.db2.gz WORQPIXFNQWBKR-YADHBBJMSA-N 2 2 342.446 4.144 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC001199608027 1054431628 /nfs/dbraw/zinc/43/16/28/1054431628.db2.gz AYDXNNCNGAJODQ-SFHVURJKSA-N 2 2 347.890 4.306 20 30 EIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000092071444 1021458415 /nfs/dbraw/zinc/45/84/15/1021458415.db2.gz AKFYQXHXRCXDKQ-HNNXBMFYSA-N 2 2 331.847 4.008 20 30 EIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000092071444 1021458436 /nfs/dbraw/zinc/45/84/36/1021458436.db2.gz AKFYQXHXRCXDKQ-HNNXBMFYSA-N 2 2 331.847 4.008 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000179109942 1023204059 /nfs/dbraw/zinc/20/40/59/1023204059.db2.gz NEQVLMGZQXFFEU-SFHVURJKSA-N 2 2 334.891 4.102 20 30 EIEDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C#N)cc1Cl ZINC000377104477 1023372783 /nfs/dbraw/zinc/37/27/83/1023372783.db2.gz RHIPYWSAACRJQP-AWEZNQCLSA-N 2 2 336.826 4.248 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000581864043 1023781958 /nfs/dbraw/zinc/78/19/58/1023781958.db2.gz FLXSRSBCLGLEDZ-JOCHJYFZSA-N 2 2 338.470 4.350 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119732386 1026409200 /nfs/dbraw/zinc/40/92/00/1026409200.db2.gz AHGHJSFWRHNBRN-QGZVFWFLSA-N 2 2 333.435 4.288 20 30 EIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C#N)cc2F)c(C)c1 ZINC000344852789 1026643516 /nfs/dbraw/zinc/64/35/16/1026643516.db2.gz WLCOFVZPUQEMHR-NRFANRHFSA-N 2 2 348.425 4.042 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000507636262 1026860142 /nfs/dbraw/zinc/86/01/42/1026860142.db2.gz MTOBMZGFXFNKPA-CDNGDFIJSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000507636262 1026860149 /nfs/dbraw/zinc/86/01/49/1026860149.db2.gz MTOBMZGFXFNKPA-CDNGDFIJSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000449260004 1031599364 /nfs/dbraw/zinc/59/93/64/1031599364.db2.gz ULACJBSIHITZHG-CBNMVNINSA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000449260004 1031599372 /nfs/dbraw/zinc/59/93/72/1031599372.db2.gz ULACJBSIHITZHG-CBNMVNINSA-N 2 2 325.500 4.103 20 30 EIEDLP C=CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453386441 1031897112 /nfs/dbraw/zinc/89/71/12/1031897112.db2.gz VJOCSYDGKSZZJT-UYAOXDASSA-N 2 2 327.516 4.018 20 30 EIEDLP C=CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453386441 1031897113 /nfs/dbraw/zinc/89/71/13/1031897113.db2.gz VJOCSYDGKSZZJT-UYAOXDASSA-N 2 2 327.516 4.018 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1F ZINC000512610777 1033492459 /nfs/dbraw/zinc/49/24/59/1033492459.db2.gz DURCOWNBIMWLLW-OAHLLOKOSA-N 2 2 329.463 4.145 20 30 EIEDLP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)[N@H+](C)Cc1ccccc1 ZINC000512667025 1033667906 /nfs/dbraw/zinc/66/79/06/1033667906.db2.gz NPHKPTKPOGHIPH-SJORKVTESA-N 2 2 339.458 4.259 20 30 EIEDLP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000512667025 1033667919 /nfs/dbraw/zinc/66/79/19/1033667919.db2.gz NPHKPTKPOGHIPH-SJORKVTESA-N 2 2 339.458 4.259 20 30 EIEDLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693413 1036899330 /nfs/dbraw/zinc/89/93/30/1036899330.db2.gz XVBXAZAOGSQDOK-XMSQKQJNSA-N 2 2 337.511 4.105 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)CC1 ZINC000482631639 1040398285 /nfs/dbraw/zinc/39/82/85/1040398285.db2.gz OBYNDJKIAPDDNE-GOSISDBHSA-N 2 2 330.516 4.413 20 30 EIEDLP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495177 1040471243 /nfs/dbraw/zinc/47/12/43/1040471243.db2.gz GZHVHLBAZIMTKD-MOPGFXCFSA-N 2 2 339.527 4.329 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480365894 1041249956 /nfs/dbraw/zinc/24/99/56/1041249956.db2.gz QOROJCINMUQCFX-UHFFFAOYSA-N 2 2 346.421 4.355 20 30 EIEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463281480 1041471459 /nfs/dbraw/zinc/47/14/59/1041471459.db2.gz KSMVQQSLSAOLFB-QMMLZNLJSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463281480 1041471462 /nfs/dbraw/zinc/47/14/62/1041471462.db2.gz KSMVQQSLSAOLFB-QMMLZNLJSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540591066 1041547842 /nfs/dbraw/zinc/54/78/42/1041547842.db2.gz FFZIVOYRINLVMC-VXKWHMMOSA-N 2 2 339.527 4.327 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000090117469 1041849515 /nfs/dbraw/zinc/84/95/15/1041849515.db2.gz XGLHHTHTRGWYLQ-AWEZNQCLSA-N 2 2 334.398 4.042 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000177911038 1042854506 /nfs/dbraw/zinc/85/45/06/1042854506.db2.gz YMOCWONYCZRAMW-SUMWQHHRSA-N 2 2 349.316 4.237 20 30 EIEDLP CC(C)(C#N)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895115321 1043035855 /nfs/dbraw/zinc/03/58/55/1043035855.db2.gz OVFFGGPDCUNZSD-MXVIHJGJSA-N 2 2 348.494 4.159 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124063107 1044820965 /nfs/dbraw/zinc/82/09/65/1044820965.db2.gz NFNZIEQYHMRTMZ-FUHWJXTLSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000124063107 1044820968 /nfs/dbraw/zinc/82/09/68/1044820968.db2.gz NFNZIEQYHMRTMZ-FUHWJXTLSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124063107 1044820971 /nfs/dbraw/zinc/82/09/71/1044820971.db2.gz NFNZIEQYHMRTMZ-FUHWJXTLSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124063107 1044820972 /nfs/dbraw/zinc/82/09/72/1044820972.db2.gz NFNZIEQYHMRTMZ-FUHWJXTLSA-N 2 2 339.508 4.105 20 30 EIEDLP Oc1ccc2ccccc2c1/C=[NH+]/CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771519442 1046435402 /nfs/dbraw/zinc/43/54/02/1046435402.db2.gz FGPJKKPTGZIGRY-LFVJCYFKSA-N 2 2 345.446 4.276 20 30 EIEDLP CCCCCCC[C@@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172357707 1049894705 /nfs/dbraw/zinc/89/47/05/1049894705.db2.gz LVUWCAZYOMIJOJ-QGZVFWFLSA-N 2 2 344.503 4.417 20 30 EIEDLP CCCCCCC[C@@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172357707 1049894707 /nfs/dbraw/zinc/89/47/07/1049894707.db2.gz LVUWCAZYOMIJOJ-QGZVFWFLSA-N 2 2 344.503 4.417 20 30 EIEDLP C[NH+](C)C1CCN(c2ccc([NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000824066782 1049897343 /nfs/dbraw/zinc/89/73/43/1049897343.db2.gz WFXCDEFCMDTGEU-UHFFFAOYSA-N 2 2 340.515 4.101 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000083455659 1049981758 /nfs/dbraw/zinc/98/17/58/1049981758.db2.gz FQHIWHJKWKAERP-UHFFFAOYSA-N 2 2 333.526 4.002 20 30 EIEDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181536010 1050179040 /nfs/dbraw/zinc/17/90/40/1050179040.db2.gz CQLQJHQYRJIOQI-SFHVURJKSA-N 2 2 333.479 4.182 20 30 EIEDLP CC1(C)CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181808179 1050340688 /nfs/dbraw/zinc/34/06/88/1050340688.db2.gz BMTJSGVTGXOYJK-UHFFFAOYSA-N 2 2 325.500 4.081 20 30 EIEDLP C=C(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000765414858 1053539058 /nfs/dbraw/zinc/53/90/58/1053539058.db2.gz ACPWEOOIHMTZOD-UHFFFAOYSA-N 2 2 335.495 4.024 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866267235 1053669066 /nfs/dbraw/zinc/66/90/66/1053669066.db2.gz BVMBUFLLLLGSSW-IAGOWNOFSA-N 2 2 349.478 4.140 20 30 EIEDLP CCCCCCCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201838672 1054931681 /nfs/dbraw/zinc/93/16/81/1054931681.db2.gz BWTOCUKUYDKDRX-UHFFFAOYSA-N 2 2 330.476 4.028 20 30 EIEDLP CCCCCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201838672 1054931690 /nfs/dbraw/zinc/93/16/90/1054931690.db2.gz BWTOCUKUYDKDRX-UHFFFAOYSA-N 2 2 330.476 4.028 20 30 EIEDLP C[NH+](Cc1ccco1)Cc1cc(C#N)cc(C[N@H+](C)Cc2ccco2)c1 ZINC000877906330 1055149418 /nfs/dbraw/zinc/14/94/18/1055149418.db2.gz OOOZAEYGPIQPGC-UHFFFAOYSA-N 2 2 349.434 4.008 20 30 EIEDLP C[NH+](Cc1ccco1)Cc1cc(C#N)cc(C[N@@H+](C)Cc2ccco2)c1 ZINC000877906330 1055149423 /nfs/dbraw/zinc/14/94/23/1055149423.db2.gz OOOZAEYGPIQPGC-UHFFFAOYSA-N 2 2 349.434 4.008 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000177905584 1022827785 /nfs/dbraw/zinc/82/77/85/1022827785.db2.gz QBLLOSRHCUTOSN-KRWDZBQOSA-N 2 2 345.506 4.117 20 30 EIEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790269 1024022710 /nfs/dbraw/zinc/02/27/10/1024022710.db2.gz POTRMAPGQAGGEF-XNGJBWTFSA-N 2 2 330.438 4.126 20 30 EIEDLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587612 1026474461 /nfs/dbraw/zinc/47/44/61/1026474461.db2.gz KMMXLCBQIPHZAN-FOIQADDNSA-N 2 2 348.425 4.065 20 30 EIEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187005 1027633135 /nfs/dbraw/zinc/63/31/35/1027633135.db2.gz QTXCFXPWLOYAGG-AEFFLSMTSA-N 2 2 340.471 4.068 20 30 EIEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187005 1027633156 /nfs/dbraw/zinc/63/31/56/1027633156.db2.gz QTXCFXPWLOYAGG-AEFFLSMTSA-N 2 2 340.471 4.068 20 30 EIEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301385428 1029721344 /nfs/dbraw/zinc/72/13/44/1029721344.db2.gz CCUOHRJNAYYXCV-UHFFFAOYSA-N 2 2 346.272 4.060 20 30 EIEDLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449072741 1031426021 /nfs/dbraw/zinc/42/60/21/1031426021.db2.gz GKHOLTRVSXGOHQ-KBWCOIMZSA-N 2 2 327.516 4.002 20 30 EIEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988648 1031896699 /nfs/dbraw/zinc/89/66/99/1031896699.db2.gz XBPNYLHOHRMCCE-XZOQPEGZSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988648 1031896703 /nfs/dbraw/zinc/89/67/03/1031896703.db2.gz XBPNYLHOHRMCCE-XZOQPEGZSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988648 1031896712 /nfs/dbraw/zinc/89/67/12/1031896712.db2.gz XBPNYLHOHRMCCE-XZOQPEGZSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988648 1031896714 /nfs/dbraw/zinc/89/67/14/1031896714.db2.gz XBPNYLHOHRMCCE-XZOQPEGZSA-N 2 2 345.490 4.045 20 30 EIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CCCC1 ZINC000453404968 1031941361 /nfs/dbraw/zinc/94/13/61/1031941361.db2.gz SFIWQVBECUNKIY-UHFFFAOYSA-N 2 2 337.511 4.249 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000489460932 1038072736 /nfs/dbraw/zinc/07/27/36/1038072736.db2.gz DLBGTGNCXRGBOO-HXUWFJFHSA-N 2 2 328.500 4.264 20 30 EIEDLP N#Cc1ccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCC2)cc1 ZINC000594515225 1038357602 /nfs/dbraw/zinc/35/76/02/1038357602.db2.gz LOHGMDMKZBMFMD-UHFFFAOYSA-N 2 2 345.490 4.192 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608073926 1038495019 /nfs/dbraw/zinc/49/50/19/1038495019.db2.gz PRAQCPHXANKGSM-NRFANRHFSA-N 2 2 347.462 4.059 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628605 1040395211 /nfs/dbraw/zinc/39/52/11/1040395211.db2.gz LCPYIOJWDHLOIK-QUCCMNQESA-N 2 2 346.490 4.101 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000482639517 1040401664 /nfs/dbraw/zinc/40/16/64/1040401664.db2.gz GHUCYKKPRDIYNO-HNNXBMFYSA-N 2 2 336.907 4.430 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000539497714 1040488988 /nfs/dbraw/zinc/48/89/88/1040488988.db2.gz RXADZRSCFJJAAL-RZUBCFFCSA-N 2 2 337.511 4.081 20 30 EIEDLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538397988 1041315621 /nfs/dbraw/zinc/31/56/21/1041315621.db2.gz IKIBLHFSHOGATD-CTNGQTDRSA-N 2 2 325.500 4.081 20 30 EIEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463281483 1041471609 /nfs/dbraw/zinc/47/16/09/1041471609.db2.gz KSMVQQSLSAOLFB-YYWHXJBOSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463281483 1041471613 /nfs/dbraw/zinc/47/16/13/1041471613.db2.gz KSMVQQSLSAOLFB-YYWHXJBOSA-N 2 2 339.527 4.131 20 30 EIEDLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540593663 1041551409 /nfs/dbraw/zinc/55/14/09/1041551409.db2.gz NAFOSGLNHOBYNO-HXUWFJFHSA-N 2 2 327.516 4.471 20 30 EIEDLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540606621 1041561379 /nfs/dbraw/zinc/56/13/79/1041561379.db2.gz OJMLCLUOEWMMGT-HXOBKFHXSA-N 2 2 345.490 4.046 20 30 EIEDLP C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000611393451 1045299557 /nfs/dbraw/zinc/29/95/57/1045299557.db2.gz UHZKUUXCCDUIGL-OPAMFIHVSA-N 2 2 342.446 4.472 20 30 EIEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331416 1050423315 /nfs/dbraw/zinc/42/33/15/1050423315.db2.gz CFXSRVRNUMBQQT-UHFFFAOYSA-N 2 2 343.490 4.161 20 30 EIEDLP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776153690 1054749883 /nfs/dbraw/zinc/74/98/83/1054749883.db2.gz DLPVNBPLTHJLFE-GOSISDBHSA-N 2 2 327.516 4.471 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201840021 1054931078 /nfs/dbraw/zinc/93/10/78/1054931078.db2.gz RRNFKFWLQZCPQN-PMACEKPBSA-N 2 2 329.532 4.196 20 30 EIEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000092071445 1021468190 /nfs/dbraw/zinc/46/81/90/1021468190.db2.gz AKFYQXHXRCXDKQ-OAHLLOKOSA-N 2 2 331.847 4.008 20 30 EIEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000092071445 1021468223 /nfs/dbraw/zinc/46/82/23/1021468223.db2.gz AKFYQXHXRCXDKQ-OAHLLOKOSA-N 2 2 331.847 4.008 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512014827 1025717953 /nfs/dbraw/zinc/71/79/53/1025717953.db2.gz MWSIOOJLDLYCFO-LBPRGKRZSA-N 2 2 343.334 4.120 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000507629990 1026858855 /nfs/dbraw/zinc/85/88/55/1026858855.db2.gz MYUSDZLOZPNCLZ-JSRJAPPDSA-N 2 2 339.527 4.101 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000507636268 1026860164 /nfs/dbraw/zinc/86/01/64/1026860164.db2.gz MTOBMZGFXFNKPA-ONZKCSKKSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000507636268 1026860167 /nfs/dbraw/zinc/86/01/67/1026860167.db2.gz MTOBMZGFXFNKPA-ONZKCSKKSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635262 1026860262 /nfs/dbraw/zinc/86/02/62/1026860262.db2.gz IZWFNIYEHRCDQO-RVEPMOMFSA-N 2 2 339.527 4.243 20 30 EIEDLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000101544934 1029209981 /nfs/dbraw/zinc/20/99/81/1029209981.db2.gz DDDHLVUHBXBAMS-KRWDZBQOSA-N 2 2 330.435 4.327 20 30 EIEDLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000101544934 1029209997 /nfs/dbraw/zinc/20/99/97/1029209997.db2.gz DDDHLVUHBXBAMS-KRWDZBQOSA-N 2 2 330.435 4.327 20 30 EIEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000448021100 1030487620 /nfs/dbraw/zinc/48/76/20/1030487620.db2.gz GPNFDQGBXVYPCH-FUHYEJFZSA-N 2 2 339.527 4.101 20 30 EIEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000448021100 1030487645 /nfs/dbraw/zinc/48/76/45/1030487645.db2.gz GPNFDQGBXVYPCH-FUHYEJFZSA-N 2 2 339.527 4.101 20 30 EIEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000448021101 1030489489 /nfs/dbraw/zinc/48/94/89/1030489489.db2.gz GPNFDQGBXVYPCH-SNCIUUNGSA-N 2 2 339.527 4.101 20 30 EIEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000448021101 1030489503 /nfs/dbraw/zinc/48/95/03/1030489503.db2.gz GPNFDQGBXVYPCH-SNCIUUNGSA-N 2 2 339.527 4.101 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC(Nc3[nH+]ccc4ccccc43)CC2)c1 ZINC000528044424 1031076572 /nfs/dbraw/zinc/07/65/72/1031076572.db2.gz HRKNJSMKXSTQGA-UHFFFAOYSA-N 2 2 342.446 4.183 20 30 EIEDLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccc(Cl)c1 ZINC000364385003 1031293972 /nfs/dbraw/zinc/29/39/72/1031293972.db2.gz OHCFRAMCHVQHMZ-RDTXWAMCSA-N 2 2 345.899 4.056 20 30 EIEDLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccc(Cl)c1 ZINC000364385003 1031293993 /nfs/dbraw/zinc/29/39/93/1031293993.db2.gz OHCFRAMCHVQHMZ-RDTXWAMCSA-N 2 2 345.899 4.056 20 30 EIEDLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595089949 1035598176 /nfs/dbraw/zinc/59/81/76/1035598176.db2.gz AMARFKSEVSMYQY-LJQANCHMSA-N 2 2 339.527 4.146 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540235 1036489467 /nfs/dbraw/zinc/48/94/67/1036489467.db2.gz YAWIOGQOJVJFGR-DENIHFKCSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540235 1036489506 /nfs/dbraw/zinc/48/95/06/1036489506.db2.gz YAWIOGQOJVJFGR-DENIHFKCSA-N 2 2 349.453 4.155 20 30 EIEDLP CC[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593692337 1036895431 /nfs/dbraw/zinc/89/54/31/1036895431.db2.gz BWZIVJOGHNHQMA-OAQYLSRUSA-N 2 2 347.506 4.306 20 30 EIEDLP CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693146 1036898774 /nfs/dbraw/zinc/89/87/74/1036898774.db2.gz QTNRVRIVLDOKSX-LAUBAEHRSA-N 2 2 337.511 4.105 20 30 EIEDLP C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000594512862 1038358491 /nfs/dbraw/zinc/35/84/91/1038358491.db2.gz FEDHFGAPGVQYQN-QGZVFWFLSA-N 2 2 342.446 4.474 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)CSc2ccc(Cl)cc2)CC1 ZINC000482638344 1040402427 /nfs/dbraw/zinc/40/24/27/1040402427.db2.gz ZMUWLENNXNMEQD-INIZCTEOSA-N 2 2 338.948 4.451 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482653107 1040416040 /nfs/dbraw/zinc/41/60/40/1040416040.db2.gz WQSWSCGREKXTPT-MRXNPFEDSA-N 2 2 342.483 4.441 20 30 EIEDLP C[C@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495178 1040471692 /nfs/dbraw/zinc/47/16/92/1040471692.db2.gz GZHVHLBAZIMTKD-OALUTQOASA-N 2 2 339.527 4.329 20 30 EIEDLP CC1(C)CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000539509565 1040503112 /nfs/dbraw/zinc/50/31/12/1040503112.db2.gz XFGBPFAHJFTJPL-UHFFFAOYSA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000463237231 1041445073 /nfs/dbraw/zinc/44/50/73/1041445073.db2.gz LIRXBWNZEKSVBC-LQWHRVPQSA-N 2 2 339.527 4.185 20 30 EIEDLP C=CCC[C@H](CCC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540787825 1041671027 /nfs/dbraw/zinc/67/10/27/1041671027.db2.gz NFLJEUJQCOWSFL-KRWDZBQOSA-N 2 2 330.520 4.159 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000271885231 1042484261 /nfs/dbraw/zinc/48/42/61/1042484261.db2.gz QQQPFXOUVKXJMY-UHFFFAOYSA-N 2 2 345.490 4.058 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000439423653 1042616064 /nfs/dbraw/zinc/61/60/64/1042616064.db2.gz PVXJDHCFPOUNSJ-UHFFFAOYSA-N 2 2 342.874 4.101 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000537303532 1047086376 /nfs/dbraw/zinc/08/63/76/1047086376.db2.gz JQERNHLNDPPADT-YADHBBJMSA-N 2 2 337.511 4.081 20 30 EIEDLP C#Cc1ccc(C[NH+]2CCC([N@H+](CC)Cc3ccccc3)CC2)cc1 ZINC001144573435 1048732701 /nfs/dbraw/zinc/73/27/01/1048732701.db2.gz JQNLDPHJTAPKKH-UHFFFAOYSA-N 2 2 332.491 4.154 20 30 EIEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)cc1 ZINC001144573435 1048732715 /nfs/dbraw/zinc/73/27/15/1048732715.db2.gz JQNLDPHJTAPKKH-UHFFFAOYSA-N 2 2 332.491 4.154 20 30 EIEDLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796140 1050335916 /nfs/dbraw/zinc/33/59/16/1050335916.db2.gz YSWVORDQJXYQLR-DYESRHJHSA-N 2 2 325.500 4.081 20 30 EIEDLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570139 1050419069 /nfs/dbraw/zinc/41/90/69/1050419069.db2.gz RJQKFMSBFBMEHH-LEWJYISDSA-N 2 2 344.462 4.316 20 30 EIEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591485 1050494390 /nfs/dbraw/zinc/49/43/90/1050494390.db2.gz KZGJVDYBWGKRSY-UHFFFAOYSA-N 2 2 343.490 4.161 20 30 EIEDLP CC[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001179053392 1050617234 /nfs/dbraw/zinc/61/72/34/1050617234.db2.gz KYWBGISAAWRCPR-ICSRJNTNSA-N 2 2 339.527 4.329 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OC(F)F)CC1 ZINC000153018605 1050934394 /nfs/dbraw/zinc/93/43/94/1050934394.db2.gz RPHGBRCRWXPQNC-KRWDZBQOSA-N 2 2 338.442 4.369 20 30 EIEDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866222065 1053655971 /nfs/dbraw/zinc/65/59/71/1053655971.db2.gz XUFQYJXRYYLFQN-QGZVFWFLSA-N 2 2 349.478 4.101 20 30 EIEDLP CCCCCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201874660 1054941621 /nfs/dbraw/zinc/94/16/21/1054941621.db2.gz BRYLXNINXMVVRL-UHFFFAOYSA-N 2 2 346.563 4.435 20 30 EIEDLP CCCCCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201874660 1054941632 /nfs/dbraw/zinc/94/16/32/1054941632.db2.gz BRYLXNINXMVVRL-UHFFFAOYSA-N 2 2 346.563 4.435 20 30 EIEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCc2ccccc21 ZINC001167179335 1020488921 /nfs/dbraw/zinc/48/89/21/1020488921.db2.gz ZRPTTYGBJXSETK-QHCPKHFHSA-N 2 2 341.458 4.303 20 30 EIEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCc2ccccc21 ZINC001167179335 1020488929 /nfs/dbraw/zinc/48/89/29/1020488929.db2.gz ZRPTTYGBJXSETK-QHCPKHFHSA-N 2 2 341.458 4.303 20 30 EIEDLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309760 1020750994 /nfs/dbraw/zinc/75/09/94/1020750994.db2.gz XFEPAIKEXORDEJ-FKBYEOEOSA-N 2 2 333.479 4.457 20 30 EIEDLP C[N@H+]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309760 1020751003 /nfs/dbraw/zinc/75/10/03/1020751003.db2.gz XFEPAIKEXORDEJ-FKBYEOEOSA-N 2 2 333.479 4.457 20 30 EIEDLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537297207 1022276248 /nfs/dbraw/zinc/27/62/48/1022276248.db2.gz PVOKSRCQJBTVKC-QHCPKHFHSA-N 2 2 345.490 4.108 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390603118 1023714546 /nfs/dbraw/zinc/71/45/46/1023714546.db2.gz YUGPFTAVBZTONY-OAQYLSRUSA-N 2 2 336.479 4.006 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390603118 1023714560 /nfs/dbraw/zinc/71/45/60/1023714560.db2.gz YUGPFTAVBZTONY-OAQYLSRUSA-N 2 2 336.479 4.006 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510740662 1024382832 /nfs/dbraw/zinc/38/28/32/1024382832.db2.gz VVGCLPQNMJNTDL-JOCHJYFZSA-N 2 2 338.470 4.464 20 30 EIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998935 1025254191 /nfs/dbraw/zinc/25/41/91/1025254191.db2.gz VXWTUECUSDAQRE-GCJKJVERSA-N 2 2 344.462 4.464 20 30 EIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2cccs2)[NH+](C)C)c(O)c1 ZINC000005227967 1025382309 /nfs/dbraw/zinc/38/23/09/1025382309.db2.gz FJQGLHRBCSUCMQ-UOBPLZBXSA-N 2 2 345.512 4.022 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000507636270 1026860688 /nfs/dbraw/zinc/86/06/88/1026860688.db2.gz MTOBMZGFXFNKPA-RVEPMOMFSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000507636270 1026860689 /nfs/dbraw/zinc/86/06/89/1026860689.db2.gz MTOBMZGFXFNKPA-RVEPMOMFSA-N 2 2 339.527 4.243 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000152965061 1026872892 /nfs/dbraw/zinc/87/28/92/1026872892.db2.gz IZANRHMNWIHETP-LBPRGKRZSA-N 2 2 343.334 4.202 20 30 EIEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000657929144 1030617050 /nfs/dbraw/zinc/61/70/50/1030617050.db2.gz CPSTULGZGOZJHZ-DSKINZAPSA-N 2 2 327.516 4.332 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCCCCC3)CC2)cc1 ZINC000449484181 1031793635 /nfs/dbraw/zinc/79/36/35/1031793635.db2.gz FTZFOQIAOHMFBF-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP N#CC1(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000411499124 1033942116 /nfs/dbraw/zinc/94/21/16/1033942116.db2.gz CODWQMCXQQPHCU-UHFFFAOYSA-N 2 2 328.504 4.239 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681837 1036569543 /nfs/dbraw/zinc/56/95/43/1036569543.db2.gz NBXGILSVCAEQDS-UGKGYDQZSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681837 1036569555 /nfs/dbraw/zinc/56/95/55/1036569555.db2.gz NBXGILSVCAEQDS-UGKGYDQZSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3C3CC3)CC2)c1 ZINC000593693308 1036899136 /nfs/dbraw/zinc/89/91/36/1036899136.db2.gz TZGSBSFESOEPLU-UHFFFAOYSA-N 2 2 345.490 4.190 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000604416130 1037383688 /nfs/dbraw/zinc/38/36/88/1037383688.db2.gz HJQVLRSKZZWPFJ-UHFFFAOYSA-N 2 2 328.431 4.134 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551050070 1039917480 /nfs/dbraw/zinc/91/74/80/1039917480.db2.gz DGPFSUUOJHTRCP-RTWAWAEBSA-N 2 2 336.479 4.177 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551050070 1039917516 /nfs/dbraw/zinc/91/75/16/1039917516.db2.gz DGPFSUUOJHTRCP-RTWAWAEBSA-N 2 2 336.479 4.177 20 30 EIEDLP C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000545979506 1039937667 /nfs/dbraw/zinc/93/76/67/1039937667.db2.gz QFZLJILQWXYYLA-IBGZPJMESA-N 2 2 347.506 4.306 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156990570 1045123584 /nfs/dbraw/zinc/12/35/84/1045123584.db2.gz KSSLMNHZJNIHOF-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156990570 1045123595 /nfs/dbraw/zinc/12/35/95/1045123595.db2.gz KSSLMNHZJNIHOF-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156990570 1045123608 /nfs/dbraw/zinc/12/36/08/1045123608.db2.gz KSSLMNHZJNIHOF-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156990570 1045123634 /nfs/dbraw/zinc/12/36/34/1045123634.db2.gz KSSLMNHZJNIHOF-XMSQKQJNSA-N 2 2 333.479 4.043 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CCCCC3)CC2)cc1 ZINC000611438540 1045307823 /nfs/dbraw/zinc/30/78/23/1045307823.db2.gz OATFFRHVXYIZDD-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000459754953 1046871534 /nfs/dbraw/zinc/87/15/34/1046871534.db2.gz MZEXGEYCYDFPDY-NRFANRHFSA-N 2 2 325.500 4.081 20 30 EIEDLP CC(C)CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000537294954 1047075706 /nfs/dbraw/zinc/07/57/06/1047075706.db2.gz HOXVCVQBWLJWKY-UHFFFAOYSA-N 2 2 339.527 4.329 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964840 1049826706 /nfs/dbraw/zinc/82/67/06/1049826706.db2.gz NHAAVWTWCZRGAB-IBGZPJMESA-N 2 2 325.500 4.103 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]CC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964840 1049826707 /nfs/dbraw/zinc/82/67/07/1049826707.db2.gz NHAAVWTWCZRGAB-IBGZPJMESA-N 2 2 325.500 4.103 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001171972086 1049834401 /nfs/dbraw/zinc/83/44/01/1049834401.db2.gz NTJGGHWLDCHXFX-NRFANRHFSA-N 2 2 333.479 4.091 20 30 EIEDLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171972086 1049834402 /nfs/dbraw/zinc/83/44/02/1049834402.db2.gz NTJGGHWLDCHXFX-NRFANRHFSA-N 2 2 333.479 4.091 20 30 EIEDLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336793 1050425939 /nfs/dbraw/zinc/42/59/39/1050425939.db2.gz LYEBDLOBFBJNDX-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336793 1050425946 /nfs/dbraw/zinc/42/59/46/1050425946.db2.gz LYEBDLOBFBJNDX-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898030 1052621582 /nfs/dbraw/zinc/62/15/82/1052621582.db2.gz WORQPIXFNQWBKR-FCHUYYIVSA-N 2 2 342.446 4.144 20 30 EIEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898030 1052621583 /nfs/dbraw/zinc/62/15/83/1052621583.db2.gz WORQPIXFNQWBKR-FCHUYYIVSA-N 2 2 342.446 4.144 20 30 EIEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209461 1054610972 /nfs/dbraw/zinc/61/09/72/1054610972.db2.gz XULJOFJNIHRQOX-LPHOPBHVSA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209461 1054610976 /nfs/dbraw/zinc/61/09/76/1054610976.db2.gz XULJOFJNIHRQOX-LPHOPBHVSA-N 2 2 334.467 4.032 20 30 EIEDLP CCCCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201840071 1054931927 /nfs/dbraw/zinc/93/19/27/1054931927.db2.gz SNGCRZAECJNICG-UHFFFAOYSA-N 2 2 332.536 4.045 20 30 EIEDLP CCCCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201840071 1054931938 /nfs/dbraw/zinc/93/19/38/1054931938.db2.gz SNGCRZAECJNICG-UHFFFAOYSA-N 2 2 332.536 4.045 20 30 EIEDLP CCCCCCCCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001201847468 1054934088 /nfs/dbraw/zinc/93/40/88/1054934088.db2.gz WCMHSAKRIJLTGX-UHFFFAOYSA-N 2 2 349.567 4.075 20 30 EIEDLP CCCCCCCCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001201847468 1054934093 /nfs/dbraw/zinc/93/40/93/1054934093.db2.gz WCMHSAKRIJLTGX-UHFFFAOYSA-N 2 2 349.567 4.075 20 30 EIEDLP CCCCCCCCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001201847468 1054934105 /nfs/dbraw/zinc/93/41/05/1054934105.db2.gz WCMHSAKRIJLTGX-UHFFFAOYSA-N 2 2 349.567 4.075 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067022 1055010344 /nfs/dbraw/zinc/01/03/44/1055010344.db2.gz AGPVFITUFNHFJZ-KNQAVFIVSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067022 1055010363 /nfs/dbraw/zinc/01/03/63/1055010363.db2.gz AGPVFITUFNHFJZ-KNQAVFIVSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067023 1055012108 /nfs/dbraw/zinc/01/21/08/1055012108.db2.gz AGPVFITUFNHFJZ-SIKLNZKXSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067023 1055012127 /nfs/dbraw/zinc/01/21/27/1055012127.db2.gz AGPVFITUFNHFJZ-SIKLNZKXSA-N 2 2 349.453 4.155 20 30 EIEDLP C=C(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000274805788 1019656447 /nfs/dbraw/zinc/65/64/47/1019656447.db2.gz WNDRTSWFFYVWON-HXUWFJFHSA-N 2 2 343.421 4.236 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964386 1021048588 /nfs/dbraw/zinc/04/85/88/1021048588.db2.gz POBZZPASVJMKCV-HZPDHXFCSA-N 2 2 339.508 4.496 20 30 EIEDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000377078003 1023366444 /nfs/dbraw/zinc/36/64/44/1023366444.db2.gz MYIMHSKNTSXUQK-LJQANCHMSA-N 2 2 334.398 4.124 20 30 EIEDLP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341758444 1024616069 /nfs/dbraw/zinc/61/60/69/1024616069.db2.gz PNEYTHWXYKGMEI-KSFYIVLOSA-N 2 2 342.446 4.472 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512014826 1025719994 /nfs/dbraw/zinc/71/99/94/1025719994.db2.gz MWSIOOJLDLYCFO-GFCCVEGCSA-N 2 2 343.334 4.120 20 30 EIEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787697 1030943097 /nfs/dbraw/zinc/94/30/97/1030943097.db2.gz HOBZIUKTQHMTTQ-WOJBJXKFSA-N 2 2 339.483 4.184 20 30 EIEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccco1 ZINC000375787697 1030943113 /nfs/dbraw/zinc/94/31/13/1030943113.db2.gz HOBZIUKTQHMTTQ-WOJBJXKFSA-N 2 2 339.483 4.184 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449119780 1031458216 /nfs/dbraw/zinc/45/82/16/1031458216.db2.gz AWKRPZQNYDCANL-UHFFFAOYSA-N 2 2 345.487 4.079 20 30 EIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCC(C)(C#N)CC2)c(C)c1 ZINC000449189740 1031509207 /nfs/dbraw/zinc/50/92/07/1031509207.db2.gz MLDNQVPFOBWBKY-CKHPTIKVSA-N 2 2 336.483 4.303 20 30 EIEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981438 1035516920 /nfs/dbraw/zinc/51/69/20/1035516920.db2.gz PPHVZLGERFAKES-HXUWFJFHSA-N 2 2 337.511 4.247 20 30 EIEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981438 1035516953 /nfs/dbraw/zinc/51/69/53/1035516953.db2.gz PPHVZLGERFAKES-HXUWFJFHSA-N 2 2 337.511 4.247 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681833 1036573030 /nfs/dbraw/zinc/57/30/30/1036573030.db2.gz NBXGILSVCAEQDS-DENIHFKCSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681833 1036573068 /nfs/dbraw/zinc/57/30/68/1036573068.db2.gz NBXGILSVCAEQDS-DENIHFKCSA-N 2 2 349.453 4.155 20 30 EIEDLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693145 1036898488 /nfs/dbraw/zinc/89/84/88/1036898488.db2.gz QTNRVRIVLDOKSX-DYESRHJHSA-N 2 2 337.511 4.105 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000482636826 1040410199 /nfs/dbraw/zinc/41/01/99/1040410199.db2.gz NDJDFYPRVQKFCE-GOSISDBHSA-N 2 2 336.907 4.430 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482652103 1040412673 /nfs/dbraw/zinc/41/26/73/1040412673.db2.gz PZPYXUMHOXFVDG-HNNXBMFYSA-N 2 2 328.456 4.051 20 30 EIEDLP CC(C)C(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000463273469 1041477813 /nfs/dbraw/zinc/47/78/13/1041477813.db2.gz LKQUPGRQKPACNC-UHFFFAOYSA-N 2 2 327.516 4.040 20 30 EIEDLP C[C@H]1CC([NH2+]CC2(C#N)CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009054 1043091689 /nfs/dbraw/zinc/09/16/89/1043091689.db2.gz YNIGHYUCOUJOEV-ROUUACIJSA-N 2 2 325.500 4.102 20 30 EIEDLP C[C@@H]1CC([NH2+]CC#Cc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024258 1044607359 /nfs/dbraw/zinc/60/73/59/1044607359.db2.gz CWGJGZIOXQQKFW-WOJBJXKFSA-N 2 2 332.491 4.069 20 30 EIEDLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000181837684 1050349185 /nfs/dbraw/zinc/34/91/85/1050349185.db2.gz KGLFYJNEBFMNRC-DLBZAZTESA-N 2 2 346.434 4.186 20 30 EIEDLP C=CCOC1CCC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173322180 1050415531 /nfs/dbraw/zinc/41/55/31/1050415531.db2.gz XNBILGZCFVJAPZ-UHFFFAOYSA-N 2 2 342.527 4.097 20 30 EIEDLP C=CCOC1CCC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173322180 1050415541 /nfs/dbraw/zinc/41/55/41/1050415541.db2.gz XNBILGZCFVJAPZ-UHFFFAOYSA-N 2 2 342.527 4.097 20 30 EIEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001183292708 1051821759 /nfs/dbraw/zinc/82/17/59/1051821759.db2.gz SNWVRZSBRBJFHP-NJYVYQBISA-N 2 2 325.500 4.103 20 30 EIEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183292708 1051821760 /nfs/dbraw/zinc/82/17/60/1051821760.db2.gz SNWVRZSBRBJFHP-NJYVYQBISA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000865704449 1053575781 /nfs/dbraw/zinc/57/57/81/1053575781.db2.gz UBGKIQUTJGTBGI-RBDMOPTHSA-N 2 2 337.511 4.081 20 30 EIEDLP CCCCCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776165410 1054792543 /nfs/dbraw/zinc/79/25/43/1054792543.db2.gz ZZTWODICWGRROC-UHFFFAOYSA-N 2 2 327.516 4.473 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735352 1029751527 /nfs/dbraw/zinc/75/15/27/1029751527.db2.gz MZKAYDCTFAHEMI-VGOFRKELSA-N 2 2 348.494 4.220 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000531535394 1031339447 /nfs/dbraw/zinc/33/94/47/1031339447.db2.gz HNUPHEMPNVPUAG-UHFFFAOYSA-N 2 2 336.479 4.102 20 30 EIEDLP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667023 1033667100 /nfs/dbraw/zinc/66/71/00/1033667100.db2.gz NPHKPTKPOGHIPH-IAGOWNOFSA-N 2 2 339.458 4.259 20 30 EIEDLP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667023 1033667107 /nfs/dbraw/zinc/66/71/07/1033667107.db2.gz NPHKPTKPOGHIPH-IAGOWNOFSA-N 2 2 339.458 4.259 20 30 EIEDLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593692336 1036896264 /nfs/dbraw/zinc/89/62/64/1036896264.db2.gz BWZIVJOGHNHQMA-NRFANRHFSA-N 2 2 347.506 4.306 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489466727 1038064380 /nfs/dbraw/zinc/06/43/80/1038064380.db2.gz RWVXIGYPFPJFJG-OAQYLSRUSA-N 2 2 340.511 4.019 20 30 EIEDLP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000600175968 1039344817 /nfs/dbraw/zinc/34/48/17/1039344817.db2.gz KSPWGNBNRPBHOJ-LJQANCHMSA-N 2 2 347.506 4.224 20 30 EIEDLP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000594512859 1039495993 /nfs/dbraw/zinc/49/59/93/1039495993.db2.gz FEDHFGAPGVQYQN-KRWDZBQOSA-N 2 2 342.446 4.474 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000518286786 1042453663 /nfs/dbraw/zinc/45/36/63/1042453663.db2.gz LDQIPKBGIDYAKE-UHFFFAOYSA-N 2 2 328.431 4.216 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997639 1042746338 /nfs/dbraw/zinc/74/63/38/1042746338.db2.gz XVOBKSQIWCHFNE-JOCHJYFZSA-N 2 2 344.462 4.211 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168016434 1044249880 /nfs/dbraw/zinc/24/98/80/1044249880.db2.gz VWVBUJHFCYZIFR-OPMZPASUSA-N 2 2 333.479 4.089 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168016434 1044249896 /nfs/dbraw/zinc/24/98/96/1044249896.db2.gz VWVBUJHFCYZIFR-OPMZPASUSA-N 2 2 333.479 4.089 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318572 1044830688 /nfs/dbraw/zinc/83/06/88/1044830688.db2.gz TWFDGQZNIJJXGY-LPHOPBHVSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318572 1044830693 /nfs/dbraw/zinc/83/06/93/1044830693.db2.gz TWFDGQZNIJJXGY-LPHOPBHVSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318572 1044830695 /nfs/dbraw/zinc/83/06/95/1044830695.db2.gz TWFDGQZNIJJXGY-LPHOPBHVSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318572 1044830696 /nfs/dbraw/zinc/83/06/96/1044830696.db2.gz TWFDGQZNIJJXGY-LPHOPBHVSA-N 2 2 339.508 4.105 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000611438298 1045308840 /nfs/dbraw/zinc/30/88/40/1045308840.db2.gz IHAMXRWSNTVYBU-QFIPXVFZSA-N 2 2 339.527 4.471 20 30 EIEDLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465800 1045312785 /nfs/dbraw/zinc/31/27/85/1045312785.db2.gz UYHPYDIMBTUATR-QRWLVFNGSA-N 2 2 348.425 4.065 20 30 EIEDLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465801 1045313242 /nfs/dbraw/zinc/31/32/42/1045313242.db2.gz UYHPYDIMBTUATR-YWZLYKJASA-N 2 2 348.425 4.065 20 30 EIEDLP CO/[NH+]=C/c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc(F)c1F ZINC001170453364 1046536666 /nfs/dbraw/zinc/53/66/66/1046536666.db2.gz JBKNDEPQIGNBKE-SRZZPIQSSA-N 2 2 339.430 4.008 20 30 EIEDLP C=CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000537250088 1047061487 /nfs/dbraw/zinc/06/14/87/1047061487.db2.gz VGXUZHPBLJDNQS-UHFFFAOYSA-N 2 2 327.472 4.139 20 30 EIEDLP C=CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000537250088 1047061500 /nfs/dbraw/zinc/06/15/00/1047061500.db2.gz VGXUZHPBLJDNQS-UHFFFAOYSA-N 2 2 327.472 4.139 20 30 EIEDLP CC(C)C1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000537292223 1047072838 /nfs/dbraw/zinc/07/28/38/1047072838.db2.gz GXHFOAROAPNKCH-UHFFFAOYSA-N 2 2 339.527 4.327 20 30 EIEDLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537292266 1047074526 /nfs/dbraw/zinc/07/45/26/1047074526.db2.gz HHZJJYBZEUGQDK-UTKZUKDTSA-N 2 2 339.527 4.327 20 30 EIEDLP CCC(CC)(CC)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537305719 1047088163 /nfs/dbraw/zinc/08/81/63/1047088163.db2.gz HSCLNMJLMMDQGK-UHFFFAOYSA-N 2 2 327.516 4.329 20 30 EIEDLP C#Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000809627843 1048442100 /nfs/dbraw/zinc/44/21/00/1048442100.db2.gz HXYCYNZPWOXAGI-JOCHJYFZSA-N 2 2 329.447 4.012 20 30 EIEDLP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181603820 1050250632 /nfs/dbraw/zinc/25/06/32/1050250632.db2.gz RBMIQDIVOQVMIQ-LJQANCHMSA-N 2 2 347.506 4.052 20 30 EIEDLP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181801271 1050334493 /nfs/dbraw/zinc/33/44/93/1050334493.db2.gz BWCMCHPPZVRHQZ-LJQANCHMSA-N 2 2 347.506 4.224 20 30 EIEDLP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796158 1050335370 /nfs/dbraw/zinc/33/53/70/1050335370.db2.gz YSWVORDQJXYQLR-LAUBAEHRSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000181849905 1050356510 /nfs/dbraw/zinc/35/65/10/1050356510.db2.gz POGNUHSTPXXTKN-MOPGFXCFSA-N 2 2 347.506 4.304 20 30 EIEDLP CC1(C)CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181891213 1050368857 /nfs/dbraw/zinc/36/88/57/1050368857.db2.gz KNCBUKMYXUHGAW-FQEVSTJZSA-N 2 2 325.500 4.081 20 30 EIEDLP CCCCCCCOc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC001178851975 1050570993 /nfs/dbraw/zinc/57/09/93/1050570993.db2.gz PQDVJKGINMIJSO-SFHVURJKSA-N 2 2 341.499 4.406 20 30 EIEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001183292704 1051821019 /nfs/dbraw/zinc/82/10/19/1051821019.db2.gz SNWVRZSBRBJFHP-HKBOAZHASA-N 2 2 325.500 4.103 20 30 EIEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183292704 1051821026 /nfs/dbraw/zinc/82/10/26/1051821026.db2.gz SNWVRZSBRBJFHP-HKBOAZHASA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866222062 1053655845 /nfs/dbraw/zinc/65/58/45/1053655845.db2.gz XUFQYJXRYYLFQN-KRWDZBQOSA-N 2 2 349.478 4.101 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001201840023 1054932290 /nfs/dbraw/zinc/93/22/90/1054932290.db2.gz RRNFKFWLQZCPQN-WOJBJXKFSA-N 2 2 329.532 4.196 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067021 1055010895 /nfs/dbraw/zinc/01/08/95/1055010895.db2.gz AGPVFITUFNHFJZ-DENIHFKCSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067021 1055010914 /nfs/dbraw/zinc/01/09/14/1055010914.db2.gz AGPVFITUFNHFJZ-DENIHFKCSA-N 2 2 349.453 4.155 20 30 EIEDLP COc1ccc([C@@H](CCC#N)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000580034582 1021308841 /nfs/dbraw/zinc/30/88/41/1021308841.db2.gz KISDGNMYWXSIIU-OAQYLSRUSA-N 2 2 346.434 4.016 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390603117 1023713903 /nfs/dbraw/zinc/71/39/03/1023713903.db2.gz YUGPFTAVBZTONY-NRFANRHFSA-N 2 2 336.479 4.006 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390603117 1023713915 /nfs/dbraw/zinc/71/39/15/1023713915.db2.gz YUGPFTAVBZTONY-NRFANRHFSA-N 2 2 336.479 4.006 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341706048 1024367139 /nfs/dbraw/zinc/36/71/39/1024367139.db2.gz GCWBURPBKXDDKB-GOSISDBHSA-N 2 2 334.891 4.184 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119732230 1026409809 /nfs/dbraw/zinc/40/98/09/1026409809.db2.gz AHGHJSFWRHNBRN-KRWDZBQOSA-N 2 2 333.435 4.288 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000520227128 1027349861 /nfs/dbraw/zinc/34/98/61/1027349861.db2.gz GSRJLELGLRNZKP-UHFFFAOYSA-N 2 2 328.431 4.216 20 30 EIEDLP CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2cccs2)[NH+](C)C)c(O)c1 ZINC000255766684 1031092328 /nfs/dbraw/zinc/09/23/28/1031092328.db2.gz FJQGLHRBCSUCMQ-IZQLPPHKSA-N 2 2 345.512 4.022 20 30 EIEDLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693412 1036898596 /nfs/dbraw/zinc/89/85/96/1036898596.db2.gz XVBXAZAOGSQDOK-PGRDOPGGSA-N 2 2 337.511 4.105 20 30 EIEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000604069708 1037194946 /nfs/dbraw/zinc/19/49/46/1037194946.db2.gz CPDRTMXICXGKOA-NRFANRHFSA-N 2 2 336.479 4.006 20 30 EIEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000604069708 1037194966 /nfs/dbraw/zinc/19/49/66/1037194966.db2.gz CPDRTMXICXGKOA-NRFANRHFSA-N 2 2 336.479 4.006 20 30 EIEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000604069711 1037195071 /nfs/dbraw/zinc/19/50/71/1037195071.db2.gz CPDRTMXICXGKOA-OAQYLSRUSA-N 2 2 336.479 4.006 20 30 EIEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000604069711 1037195085 /nfs/dbraw/zinc/19/50/85/1037195085.db2.gz CPDRTMXICXGKOA-OAQYLSRUSA-N 2 2 336.479 4.006 20 30 EIEDLP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000594495114 1038346081 /nfs/dbraw/zinc/34/60/81/1038346081.db2.gz OYAIDDJYDRYZFX-UHFFFAOYSA-N 2 2 344.462 4.022 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924986663 1039954938 /nfs/dbraw/zinc/95/49/38/1039954938.db2.gz MKNHBURBTXEHOE-LBPRGKRZSA-N 2 2 332.435 4.458 20 30 EIEDLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCC(C)(C)C#N ZINC000482166453 1040055023 /nfs/dbraw/zinc/05/50/23/1040055023.db2.gz UWJBMMAVDUVHHB-HXUWFJFHSA-N 2 2 341.543 4.379 20 30 EIEDLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCC(C)(C)C#N ZINC000482166453 1040055042 /nfs/dbraw/zinc/05/50/42/1040055042.db2.gz UWJBMMAVDUVHHB-HXUWFJFHSA-N 2 2 341.543 4.379 20 30 EIEDLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463283497 1041472735 /nfs/dbraw/zinc/47/27/35/1041472735.db2.gz UBDZIZAESMCKNW-HXUWFJFHSA-N 2 2 325.500 4.081 20 30 EIEDLP C=CCC[C@@H](CCC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540787826 1041671586 /nfs/dbraw/zinc/67/15/86/1041671586.db2.gz NFLJEUJQCOWSFL-QGZVFWFLSA-N 2 2 330.520 4.159 20 30 EIEDLP C[C@@H]1CC([NH2+]Cc2ccccc2C#N)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168016435 1044249301 /nfs/dbraw/zinc/24/93/01/1044249301.db2.gz VWVBUJHFCYZIFR-QZTJIDSGSA-N 2 2 333.479 4.089 20 30 EIEDLP C[C@H]1CC([NH2+]Cc2csc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034569 1044952505 /nfs/dbraw/zinc/95/25/05/1044952505.db2.gz QPZKKQJJYJMCAK-HOTGVXAUSA-N 2 2 339.508 4.151 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000537303526 1047086105 /nfs/dbraw/zinc/08/61/05/1047086105.db2.gz JQERNHLNDPPADT-FGZHOGPDSA-N 2 2 337.511 4.081 20 30 EIEDLP C=C(C)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136949713 1049558694 /nfs/dbraw/zinc/55/86/94/1049558694.db2.gz HAJOMTDNHIUETB-UHFFFAOYSA-N 2 2 326.406 4.178 20 30 EIEDLP C=C(C)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136949713 1049558708 /nfs/dbraw/zinc/55/87/08/1049558708.db2.gz HAJOMTDNHIUETB-UHFFFAOYSA-N 2 2 326.406 4.178 20 30 EIEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172316795 1049876428 /nfs/dbraw/zinc/87/64/28/1049876428.db2.gz XRFFDHIAYDFPAM-IBGZPJMESA-N 2 2 347.506 4.086 20 30 EIEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172316795 1049876430 /nfs/dbraw/zinc/87/64/30/1049876430.db2.gz XRFFDHIAYDFPAM-IBGZPJMESA-N 2 2 347.506 4.086 20 30 EIEDLP CCCCCCC[C@@H](CC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172359656 1049895575 /nfs/dbraw/zinc/89/55/75/1049895575.db2.gz ZIMCNQYVJIUYNN-HXUWFJFHSA-N 2 2 346.563 4.434 20 30 EIEDLP CCCCCCC[C@@H](CC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172359656 1049895579 /nfs/dbraw/zinc/89/55/79/1049895579.db2.gz ZIMCNQYVJIUYNN-HXUWFJFHSA-N 2 2 346.563 4.434 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092390584 1050399526 /nfs/dbraw/zinc/39/95/26/1050399526.db2.gz BKMOYIOGWJMVIG-UHFFFAOYSA-N 2 2 347.934 4.070 20 30 EIEDLP C=C(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000274805230 1019645786 /nfs/dbraw/zinc/64/57/86/1019645786.db2.gz WNDRTSWFFYVWON-FQEVSTJZSA-N 2 2 343.421 4.236 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Cl)s3)CC2)cc1 ZINC000181598263 1022830497 /nfs/dbraw/zinc/83/04/97/1022830497.db2.gz GTBXJNPESKMGEQ-UHFFFAOYSA-N 2 2 345.899 4.027 20 30 EIEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790266 1024024715 /nfs/dbraw/zinc/02/47/15/1024024715.db2.gz POTRMAPGQAGGEF-DFULUXCASA-N 2 2 330.438 4.126 20 30 EIEDLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540594063 1026420538 /nfs/dbraw/zinc/42/05/38/1026420538.db2.gz DGMXZECBYKSOJY-IRLDBZIGSA-N 2 2 339.527 4.471 20 30 EIEDLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587640 1026477472 /nfs/dbraw/zinc/47/74/72/1026477472.db2.gz KMMXLCBQIPHZAN-QRWLVFNGSA-N 2 2 348.425 4.065 20 30 EIEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101547024 1029209557 /nfs/dbraw/zinc/20/95/57/1029209557.db2.gz YYSDBSVGNRBJPK-UHFFFAOYSA-N 2 2 330.435 4.155 20 30 EIEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101547024 1029209586 /nfs/dbraw/zinc/20/95/86/1029209586.db2.gz YYSDBSVGNRBJPK-UHFFFAOYSA-N 2 2 330.435 4.155 20 30 EIEDLP C=CCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000685459634 1030359049 /nfs/dbraw/zinc/35/90/49/1030359049.db2.gz UKBNUEKBLJUTSD-UHFFFAOYSA-N 2 2 339.483 4.140 20 30 EIEDLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449072750 1031426351 /nfs/dbraw/zinc/42/63/51/1031426351.db2.gz GKHOLTRVSXGOHQ-NYLDSWQDSA-N 2 2 327.516 4.002 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000236690637 1031661723 /nfs/dbraw/zinc/66/17/23/1031661723.db2.gz YPOHPXAKKLAMFE-UHFFFAOYSA-N 2 2 328.500 4.138 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000237335316 1031861432 /nfs/dbraw/zinc/86/14/32/1031861432.db2.gz GIMCKDAMFQAKHG-UHFFFAOYSA-N 2 2 336.479 4.102 20 30 EIEDLP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667024 1033667171 /nfs/dbraw/zinc/66/71/71/1033667171.db2.gz NPHKPTKPOGHIPH-IRXDYDNUSA-N 2 2 339.458 4.259 20 30 EIEDLP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667024 1033667186 /nfs/dbraw/zinc/66/71/86/1033667186.db2.gz NPHKPTKPOGHIPH-IRXDYDNUSA-N 2 2 339.458 4.259 20 30 EIEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980937 1035514866 /nfs/dbraw/zinc/51/48/66/1035514866.db2.gz DLHUPDWPKPUONU-ICSRJNTNSA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000594980937 1035514883 /nfs/dbraw/zinc/51/48/83/1035514883.db2.gz DLHUPDWPKPUONU-ICSRJNTNSA-N 2 2 325.500 4.103 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(C4CC4)c3)CC2)c1 ZINC000593692083 1036896468 /nfs/dbraw/zinc/89/64/68/1036896468.db2.gz ZGXYASOMTOQYSL-UHFFFAOYSA-N 2 2 345.490 4.190 20 30 EIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593693381 1036899345 /nfs/dbraw/zinc/89/93/45/1036899345.db2.gz WXIYOSFFJLAZDO-UHFFFAOYSA-N 2 2 347.506 4.090 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628607 1040393003 /nfs/dbraw/zinc/39/30/03/1040393003.db2.gz LCPYIOJWDHLOIK-UYAOXDASSA-N 2 2 346.490 4.101 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000539497715 1040488249 /nfs/dbraw/zinc/48/82/49/1040488249.db2.gz RXADZRSCFJJAAL-TUNNFDKTSA-N 2 2 337.511 4.081 20 30 EIEDLP CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538395914 1041313281 /nfs/dbraw/zinc/31/32/81/1041313281.db2.gz SNPPXAOPAUSQEP-UNMCSNQZSA-N 2 2 339.527 4.471 20 30 EIEDLP CCCC[C@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540593662 1041550757 /nfs/dbraw/zinc/55/07/57/1041550757.db2.gz NAFOSGLNHOBYNO-FQEVSTJZSA-N 2 2 327.516 4.471 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000177914169 1042854307 /nfs/dbraw/zinc/85/43/07/1042854307.db2.gz BYVPUUWQHBUHTQ-MRXNPFEDSA-N 2 2 325.283 4.221 20 30 EIEDLP C[C@@H]1CC([NH2+]Cc2csc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034572 1044951055 /nfs/dbraw/zinc/95/10/55/1044951055.db2.gz QPZKKQJJYJMCAK-HZPDHXFCSA-N 2 2 339.508 4.151 20 30 EIEDLP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000611393449 1045297780 /nfs/dbraw/zinc/29/77/80/1045297780.db2.gz UHZKUUXCCDUIGL-KSFYIVLOSA-N 2 2 342.446 4.472 20 30 EIEDLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537297206 1047077293 /nfs/dbraw/zinc/07/72/93/1047077293.db2.gz PVOKSRCQJBTVKC-HSZRJFAPSA-N 2 2 345.490 4.108 20 30 EIEDLP C#C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793271 1049591617 /nfs/dbraw/zinc/59/16/17/1049591617.db2.gz RJMUFUKHLZRMLV-XJABCFGWSA-N 2 2 336.454 4.000 20 30 EIEDLP C#C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793271 1049591633 /nfs/dbraw/zinc/59/16/33/1049591633.db2.gz RJMUFUKHLZRMLV-XJABCFGWSA-N 2 2 336.454 4.000 20 30 EIEDLP CC1(C)C[C@H]([NH2+]Cc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171977483 1049836947 /nfs/dbraw/zinc/83/69/47/1049836947.db2.gz BPYGJXRNLXTLAS-GOSISDBHSA-N 2 2 339.508 4.153 20 30 EIEDLP CC1(C)C[C@H]([NH2+]Cc2csc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171977483 1049836951 /nfs/dbraw/zinc/83/69/51/1049836951.db2.gz BPYGJXRNLXTLAS-GOSISDBHSA-N 2 2 339.508 4.153 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000181429532 1050122407 /nfs/dbraw/zinc/12/24/07/1050122407.db2.gz ZPIDFQYIKJLAAW-HSZRJFAPSA-N 2 2 345.490 4.264 20 30 EIEDLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796108 1050336387 /nfs/dbraw/zinc/33/63/87/1050336387.db2.gz YSWVORDQJXYQLR-UTKZUKDTSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OCC#N)cc1 ZINC000181837648 1050348707 /nfs/dbraw/zinc/34/87/07/1050348707.db2.gz KGLFYJNEBFMNRC-IRXDYDNUSA-N 2 2 346.434 4.186 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1 ZINC000181849887 1050355886 /nfs/dbraw/zinc/35/58/86/1050355886.db2.gz POGNUHSTPXXTKN-RBUKOAKNSA-N 2 2 347.506 4.304 20 30 EIEDLP N#CCC1CCC([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CC1 ZINC001173325789 1050418776 /nfs/dbraw/zinc/41/87/76/1050418776.db2.gz NQFBRNJPUBFAFE-MNAWUITFSA-N 2 2 333.479 4.490 20 30 EIEDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2CCC(CC#N)CC2)CC1 ZINC001173339402 1050427839 /nfs/dbraw/zinc/42/78/39/1050427839.db2.gz GNEHNXKNKBAQCQ-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2CCC(CC#N)CC2)CC1 ZINC001173339402 1050427847 /nfs/dbraw/zinc/42/78/47/1050427847.db2.gz GNEHNXKNKBAQCQ-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600622 1050503047 /nfs/dbraw/zinc/50/30/47/1050503047.db2.gz GVVAYMINXGZVQR-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600622 1050503063 /nfs/dbraw/zinc/50/30/63/1050503063.db2.gz GVVAYMINXGZVQR-UHFFFAOYSA-N 2 2 343.490 4.194 20 30 EIEDLP CC(C)c1ccccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001179054254 1050617302 /nfs/dbraw/zinc/61/73/02/1050617302.db2.gz SSGVKMAUYAOJDW-UHFFFAOYSA-N 2 2 347.506 4.436 20 30 EIEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000619754578 1050883784 /nfs/dbraw/zinc/88/37/84/1050883784.db2.gz DSKRKHOJJHIWIK-CQSZACIVSA-N 2 2 336.826 4.248 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261440 1053667426 /nfs/dbraw/zinc/66/74/26/1053667426.db2.gz UPJXRNYOBSHGTD-HSZRJFAPSA-N 2 2 349.522 4.386 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429518362 1053891079 /nfs/dbraw/zinc/89/10/79/1053891079.db2.gz LUXJWBWMEITAJB-JOCHJYFZSA-N 2 2 338.470 4.350 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Cl ZINC001199608026 1054432063 /nfs/dbraw/zinc/43/20/63/1054432063.db2.gz AYDXNNCNGAJODQ-GOSISDBHSA-N 2 2 347.890 4.306 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193914 1054535473 /nfs/dbraw/zinc/53/54/73/1054535473.db2.gz WTKLAXFKOWSGFT-APWZRJJASA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193914 1054535492 /nfs/dbraw/zinc/53/54/92/1054535492.db2.gz WTKLAXFKOWSGFT-APWZRJJASA-N 2 2 334.467 4.032 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341706049 1024366251 /nfs/dbraw/zinc/36/62/51/1024366251.db2.gz GCWBURPBKXDDKB-SFHVURJKSA-N 2 2 334.891 4.184 20 30 EIEDLP C[C@@H]1CC([NH2+]C2(CC#N)CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042607 1027562555 /nfs/dbraw/zinc/56/25/55/1027562555.db2.gz ZYPIJALJYWHEHR-QZTJIDSGSA-N 2 2 325.500 4.244 20 30 EIEDLP C[C@H]1CC([NH2+]C2(CC#N)CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042608 1027563247 /nfs/dbraw/zinc/56/32/47/1027563247.db2.gz ZYPIJALJYWHEHR-ROUUACIJSA-N 2 2 325.500 4.244 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC/C=C/C)cc2)CC1 ZINC000468366018 1029560554 /nfs/dbraw/zinc/56/05/54/1029560554.db2.gz CCAJFBWOSZDZGS-OQBYNLHGSA-N 2 2 342.527 4.203 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000657875704 1030143143 /nfs/dbraw/zinc/14/31/43/1030143143.db2.gz OGPBTAGCVZMPPP-KRWDZBQOSA-N 2 2 340.433 4.267 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000657875706 1030143616 /nfs/dbraw/zinc/14/36/16/1030143616.db2.gz OGPBTAGCVZMPPP-QGZVFWFLSA-N 2 2 340.433 4.267 20 30 EIEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000595091236 1035597899 /nfs/dbraw/zinc/59/78/99/1035597899.db2.gz OJTSLBRCHFYFGU-WKCHPHFGSA-N 2 2 337.511 4.246 20 30 EIEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000595091236 1035597906 /nfs/dbraw/zinc/59/79/06/1035597906.db2.gz OJTSLBRCHFYFGU-WKCHPHFGSA-N 2 2 337.511 4.246 20 30 EIEDLP C=C(CC)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539116195 1038845576 /nfs/dbraw/zinc/84/55/76/1038845576.db2.gz QGWIPLVCSSTNMP-UHFFFAOYSA-N 2 2 330.520 4.165 20 30 EIEDLP C=C(CC)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539116195 1038845583 /nfs/dbraw/zinc/84/55/83/1038845583.db2.gz QGWIPLVCSSTNMP-UHFFFAOYSA-N 2 2 330.520 4.165 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)cc1 ZINC000552406518 1039477499 /nfs/dbraw/zinc/47/74/99/1039477499.db2.gz APNDFTXXCLKEGX-UHFFFAOYSA-N 2 2 346.478 4.297 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628603 1040393984 /nfs/dbraw/zinc/39/39/84/1040393984.db2.gz LCPYIOJWDHLOIK-ICSRJNTNSA-N 2 2 346.490 4.101 20 30 EIEDLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539497955 1040487971 /nfs/dbraw/zinc/48/79/71/1040487971.db2.gz AVOFYEKMAKLGNL-GOSISDBHSA-N 2 2 327.516 4.327 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934924 1041071037 /nfs/dbraw/zinc/07/10/37/1041071037.db2.gz YUQFKEMVMBHNDM-OFNKIYASSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483934924 1041071052 /nfs/dbraw/zinc/07/10/52/1041071052.db2.gz YUQFKEMVMBHNDM-OFNKIYASSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934924 1041071069 /nfs/dbraw/zinc/07/10/69/1041071069.db2.gz YUQFKEMVMBHNDM-OFNKIYASSA-N 2 2 332.491 4.023 20 30 EIEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000483934924 1041071080 /nfs/dbraw/zinc/07/10/80/1041071080.db2.gz YUQFKEMVMBHNDM-OFNKIYASSA-N 2 2 332.491 4.023 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000356667879 1043236560 /nfs/dbraw/zinc/23/65/60/1043236560.db2.gz BGBADBXAYKWRCC-GOSISDBHSA-N 2 2 349.316 4.067 20 30 EIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000390716223 1044058065 /nfs/dbraw/zinc/05/80/65/1044058065.db2.gz YGUOJODGCRRVJZ-IBGZPJMESA-N 2 2 339.508 4.010 20 30 EIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000390716223 1044058079 /nfs/dbraw/zinc/05/80/79/1044058079.db2.gz YGUOJODGCRRVJZ-IBGZPJMESA-N 2 2 339.508 4.010 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000236691111 1045362972 /nfs/dbraw/zinc/36/29/72/1045362972.db2.gz WBORHAOULXCUKU-UHFFFAOYSA-N 2 2 346.421 4.355 20 30 EIEDLP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537295797 1047077154 /nfs/dbraw/zinc/07/71/54/1047077154.db2.gz PUHMPPDCMJOQPC-IBGZPJMESA-N 2 2 347.506 4.490 20 30 EIEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954551 1049066251 /nfs/dbraw/zinc/06/62/51/1049066251.db2.gz YNGYNOCMEHWTIY-IIBYNOLFSA-N 2 2 337.467 4.063 20 30 EIEDLP N#CCC1CCC([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001173334211 1050426034 /nfs/dbraw/zinc/42/60/34/1050426034.db2.gz NQFBRNJPUBFAFE-POHXSPKXSA-N 2 2 333.479 4.490 20 30 EIEDLP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618804752 1050533060 /nfs/dbraw/zinc/53/30/60/1050533060.db2.gz LTCFWMPFQSZDEQ-YCRPNKLZSA-N 2 2 328.419 4.082 20 30 EIEDLP C=CCC(C)(C)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178795232 1050555617 /nfs/dbraw/zinc/55/56/17/1050555617.db2.gz IYCHAJIYWAGVCX-UHFFFAOYSA-N 2 2 347.890 4.307 20 30 EIEDLP CC[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001179053396 1050617686 /nfs/dbraw/zinc/61/76/86/1050617686.db2.gz KYWBGISAAWRCPR-UYAOXDASSA-N 2 2 339.527 4.329 20 30 EIEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001183292709 1051821304 /nfs/dbraw/zinc/82/13/04/1051821304.db2.gz SNWVRZSBRBJFHP-QHAWAJNXSA-N 2 2 325.500 4.103 20 30 EIEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183292709 1051821309 /nfs/dbraw/zinc/82/13/09/1051821309.db2.gz SNWVRZSBRBJFHP-QHAWAJNXSA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193917 1054534794 /nfs/dbraw/zinc/53/47/94/1054534794.db2.gz WTKLAXFKOWSGFT-LPHOPBHVSA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193917 1054534811 /nfs/dbraw/zinc/53/48/11/1054534811.db2.gz WTKLAXFKOWSGFT-LPHOPBHVSA-N 2 2 334.467 4.032 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000106245360 1054938199 /nfs/dbraw/zinc/93/81/99/1054938199.db2.gz IGIWKYYAHGASGC-UHFFFAOYSA-N 2 2 343.298 4.132 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC(=C)Cl)cc2)CC1 ZINC000177914116 1021807683 /nfs/dbraw/zinc/80/76/83/1021807683.db2.gz KJIKWJFGKDQIAI-MRXNPFEDSA-N 2 2 334.891 4.119 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998936 1025253498 /nfs/dbraw/zinc/25/34/98/1025253498.db2.gz VXWTUECUSDAQRE-PGRDOPGGSA-N 2 2 344.462 4.464 20 30 EIEDLP C=CCOc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000519230868 1025623263 /nfs/dbraw/zinc/62/32/63/1025623263.db2.gz SNJGSCOHRKNHBC-UHFFFAOYSA-N 2 2 339.483 4.140 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000507654477 1026862871 /nfs/dbraw/zinc/86/28/71/1026862871.db2.gz UJOPDWMARNFMEH-LAXGTINGSA-N 2 2 339.527 4.101 20 30 EIEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000507654477 1026862876 /nfs/dbraw/zinc/86/28/76/1026862876.db2.gz UJOPDWMARNFMEH-LAXGTINGSA-N 2 2 339.527 4.101 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000346099112 1028255648 /nfs/dbraw/zinc/25/56/48/1028255648.db2.gz MPLPRFFUTMTKQP-GOSISDBHSA-N 2 2 334.891 4.184 20 30 EIEDLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000546572730 1028395649 /nfs/dbraw/zinc/39/56/49/1028395649.db2.gz MPCHLYCMROXKMG-UHFFFAOYSA-N 2 2 339.527 4.473 20 30 EIEDLP C=CCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000449604889 1031876998 /nfs/dbraw/zinc/87/69/98/1031876998.db2.gz LUZQIGJXWQQFJZ-UHFFFAOYSA-N 2 2 337.511 4.249 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000449670080 1031919244 /nfs/dbraw/zinc/91/92/44/1031919244.db2.gz OMEGUZYPWHFVMO-OAQYLSRUSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667022 1033668196 /nfs/dbraw/zinc/66/81/96/1033668196.db2.gz NPHKPTKPOGHIPH-DLBZAZTESA-N 2 2 339.458 4.259 20 30 EIEDLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667022 1033668208 /nfs/dbraw/zinc/66/82/08/1033668208.db2.gz NPHKPTKPOGHIPH-DLBZAZTESA-N 2 2 339.458 4.259 20 30 EIEDLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243827 1041451134 /nfs/dbraw/zinc/45/11/34/1041451134.db2.gz UMSBRPGUYCNXNZ-NSHGMRRFSA-N 2 2 325.500 4.322 20 30 EIEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463281482 1041471207 /nfs/dbraw/zinc/47/12/07/1041471207.db2.gz KSMVQQSLSAOLFB-WMQCIHAUSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463281482 1041471209 /nfs/dbraw/zinc/47/12/09/1041471209.db2.gz KSMVQQSLSAOLFB-WMQCIHAUSA-N 2 2 339.527 4.131 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177911450 1042854245 /nfs/dbraw/zinc/85/42/45/1042854245.db2.gz SAEVOOCILMCXKY-LBPRGKRZSA-N 2 2 344.833 4.242 20 30 EIEDLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000611476155 1045315311 /nfs/dbraw/zinc/31/53/11/1045315311.db2.gz ORKBQMDUJOHASW-XMSQKQJNSA-N 2 2 345.490 4.190 20 30 EIEDLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000611476155 1045315318 /nfs/dbraw/zinc/31/53/18/1045315318.db2.gz ORKBQMDUJOHASW-XMSQKQJNSA-N 2 2 345.490 4.190 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236689852 1045363196 /nfs/dbraw/zinc/36/31/96/1045363196.db2.gz OKSZLBMXUYWOMU-UHFFFAOYSA-N 2 2 344.833 4.072 20 30 EIEDLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000556202616 1047564494 /nfs/dbraw/zinc/56/44/94/1047564494.db2.gz ACDXPRBALCFFPP-IRJFHVNHSA-N 2 2 325.500 4.081 20 30 EIEDLP CCCCCCC[C@H](CC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172359645 1049895653 /nfs/dbraw/zinc/89/56/53/1049895653.db2.gz ZIMCNQYVJIUYNN-FQEVSTJZSA-N 2 2 346.563 4.434 20 30 EIEDLP CCCCCCC[C@H](CC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172359645 1049895659 /nfs/dbraw/zinc/89/56/59/1049895659.db2.gz ZIMCNQYVJIUYNN-FQEVSTJZSA-N 2 2 346.563 4.434 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000181807652 1050340761 /nfs/dbraw/zinc/34/07/61/1050340761.db2.gz UENOXICCMUBRLD-KRWDZBQOSA-N 2 2 325.500 4.081 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261445 1053667091 /nfs/dbraw/zinc/66/70/91/1053667091.db2.gz UPJXRNYOBSHGTD-QHCPKHFHSA-N 2 2 349.522 4.386 20 30 EIEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209466 1054610925 /nfs/dbraw/zinc/61/09/25/1054610925.db2.gz XULJOFJNIHRQOX-QFBILLFUSA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282209466 1054610933 /nfs/dbraw/zinc/61/09/33/1054610933.db2.gz XULJOFJNIHRQOX-QFBILLFUSA-N 2 2 334.467 4.032 20 30 EIEDLP CCCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776153691 1054749234 /nfs/dbraw/zinc/74/92/34/1054749234.db2.gz DLPVNBPLTHJLFE-SFHVURJKSA-N 2 2 327.516 4.471 20 30 EIEDLP CCCCCCCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001201813750 1054911939 /nfs/dbraw/zinc/91/19/39/1054911939.db2.gz IUZCAERQVXLDIU-UHFFFAOYSA-N 2 2 345.531 4.113 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742391292 1058591738 /nfs/dbraw/zinc/59/17/38/1058591738.db2.gz GNGGIHYKFKLNHT-QGZVFWFLSA-N 2 2 333.435 4.288 20 30 EIEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169009581 1060574317 /nfs/dbraw/zinc/57/43/17/1060574317.db2.gz RNFCXBOPLQHHDO-OAQYLSRUSA-N 2 2 346.478 4.312 20 30 EIEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169009581 1060574337 /nfs/dbraw/zinc/57/43/37/1060574337.db2.gz RNFCXBOPLQHHDO-OAQYLSRUSA-N 2 2 346.478 4.312 20 30 EIEDLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025010 1022414258 /nfs/dbraw/zinc/41/42/58/1022414258.db2.gz FNVKMYAITQNUEW-XLIONFOSSA-N 2 2 325.500 4.081 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181587254 1022823011 /nfs/dbraw/zinc/82/30/11/1022823011.db2.gz UASQCMLWGILIKK-LJQANCHMSA-N 2 2 339.508 4.325 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000507654476 1026862010 /nfs/dbraw/zinc/86/20/10/1026862010.db2.gz UJOPDWMARNFMEH-CDNGDFIJSA-N 2 2 339.527 4.101 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000507654476 1026862014 /nfs/dbraw/zinc/86/20/14/1026862014.db2.gz UJOPDWMARNFMEH-CDNGDFIJSA-N 2 2 339.527 4.101 20 30 EIEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507645523 1026863905 /nfs/dbraw/zinc/86/39/05/1026863905.db2.gz RWIFCENIZOEJFE-ATKRNPRHSA-N 2 2 339.527 4.245 20 30 EIEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507645523 1026863909 /nfs/dbraw/zinc/86/39/09/1026863909.db2.gz RWIFCENIZOEJFE-ATKRNPRHSA-N 2 2 339.527 4.245 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000122358276 1030808825 /nfs/dbraw/zinc/80/88/25/1030808825.db2.gz WMQFDRLIUCYPIY-UHFFFAOYSA-N 2 2 339.458 4.018 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000183146781 1035266596 /nfs/dbraw/zinc/26/65/96/1035266596.db2.gz SAQNJOVMMLCCDO-CQSZACIVSA-N 2 2 334.398 4.042 20 30 EIEDLP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692997 1036892770 /nfs/dbraw/zinc/89/27/70/1036892770.db2.gz LAOUVWYOKIYHKY-RGEXLXHISA-N 2 2 345.490 4.216 20 30 EIEDLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693410 1036898961 /nfs/dbraw/zinc/89/89/61/1036898961.db2.gz XVBXAZAOGSQDOK-AVRDEDQJSA-N 2 2 337.511 4.105 20 30 EIEDLP C[C@H](CC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593695310 1036899733 /nfs/dbraw/zinc/89/97/33/1036899733.db2.gz KNYOLVFPIQPBLQ-LJQANCHMSA-N 2 2 347.506 4.306 20 30 EIEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594965184 1038550444 /nfs/dbraw/zinc/55/04/44/1038550444.db2.gz RHNYMKFXWAVHNB-RBBKRZOGSA-N 2 2 337.511 4.247 20 30 EIEDLP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538395912 1041314367 /nfs/dbraw/zinc/31/43/67/1041314367.db2.gz SNPPXAOPAUSQEP-IRLDBZIGSA-N 2 2 339.527 4.471 20 30 EIEDLP C[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463241196 1041448096 /nfs/dbraw/zinc/44/80/96/1041448096.db2.gz AUYYAFSKLNIWNF-GOSISDBHSA-N 2 2 339.527 4.471 20 30 EIEDLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540606622 1041560214 /nfs/dbraw/zinc/56/02/14/1041560214.db2.gz OJMLCLUOEWMMGT-SBUREZEXSA-N 2 2 345.490 4.046 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(Br)cc2)CC1 ZINC000177913701 1042854435 /nfs/dbraw/zinc/85/44/35/1042854435.db2.gz YLXJDSPZFXNMEY-QGZVFWFLSA-N 2 2 337.305 4.140 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000178276357 1042862705 /nfs/dbraw/zinc/86/27/05/1042862705.db2.gz WMZJCQUFVBEWCB-SFHVURJKSA-N 2 2 334.891 4.102 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183059350 1043037268 /nfs/dbraw/zinc/03/72/68/1043037268.db2.gz BUSJDVDPCOHAJQ-UHFFFAOYSA-N 2 2 336.479 4.102 20 30 EIEDLP C[C@H]1CC([NH2+]CC#Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024257 1044605176 /nfs/dbraw/zinc/60/51/76/1044605176.db2.gz CWGJGZIOXQQKFW-PMACEKPBSA-N 2 2 332.491 4.069 20 30 EIEDLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537292263 1047076442 /nfs/dbraw/zinc/07/64/42/1047076442.db2.gz HHZJJYBZEUGQDK-LAUBAEHRSA-N 2 2 339.527 4.327 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000537303519 1047086283 /nfs/dbraw/zinc/08/62/83/1047086283.db2.gz JQERNHLNDPPADT-FCHUYYIVSA-N 2 2 337.511 4.081 20 30 EIEDLP C#CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1 ZINC000773117863 1049587803 /nfs/dbraw/zinc/58/78/03/1049587803.db2.gz XQCFRJCTTWELPM-QHCPKHFHSA-N 2 2 347.506 4.076 20 30 EIEDLP CC1(C)C[C@H]([NH2+]Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001171972087 1049834955 /nfs/dbraw/zinc/83/49/55/1049834955.db2.gz NTJGGHWLDCHXFX-OAQYLSRUSA-N 2 2 333.479 4.091 20 30 EIEDLP CC1(C)C[C@H]([NH2+]Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171972087 1049834956 /nfs/dbraw/zinc/83/49/56/1049834956.db2.gz NTJGGHWLDCHXFX-OAQYLSRUSA-N 2 2 333.479 4.091 20 30 EIEDLP C[C@H](CCCC#N)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001172499319 1049922659 /nfs/dbraw/zinc/92/26/59/1049922659.db2.gz RCQGRPBHRAZZAZ-OAHLLOKOSA-N 2 2 334.423 4.076 20 30 EIEDLP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181387472 1050114136 /nfs/dbraw/zinc/11/41/36/1050114136.db2.gz PGVBOIPZEQRAHE-LJQANCHMSA-N 2 2 347.506 4.134 20 30 EIEDLP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181594151 1050235872 /nfs/dbraw/zinc/23/58/72/1050235872.db2.gz LGVMMISDRZKZLL-OAQYLSRUSA-N 2 2 347.506 4.306 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091334225 1050253733 /nfs/dbraw/zinc/25/37/33/1050253733.db2.gz NXQZJIVHLWUEEJ-SFHVURJKSA-N 2 2 349.316 4.140 20 30 EIEDLP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181776776 1050329025 /nfs/dbraw/zinc/32/90/25/1050329025.db2.gz VJJOJXKIRQWESU-KRWDZBQOSA-N 2 2 327.516 4.327 20 30 EIEDLP C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618804750 1050534295 /nfs/dbraw/zinc/53/42/95/1050534295.db2.gz LTCFWMPFQSZDEQ-QVKFZJNVSA-N 2 2 328.419 4.082 20 30 EIEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1C#N ZINC001176990140 1052213593 /nfs/dbraw/zinc/21/35/93/1052213593.db2.gz CUGGXBJMLLIQLM-GOSISDBHSA-N 2 2 336.483 4.198 20 30 EIEDLP Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1C#N ZINC001176990140 1052213606 /nfs/dbraw/zinc/21/36/06/1052213606.db2.gz CUGGXBJMLLIQLM-GOSISDBHSA-N 2 2 336.483 4.198 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866267237 1053669449 /nfs/dbraw/zinc/66/94/49/1053669449.db2.gz BVMBUFLLLLGSSW-SJORKVTESA-N 2 2 349.478 4.140 20 30 EIEDLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776766051 1053861219 /nfs/dbraw/zinc/86/12/19/1053861219.db2.gz PHAORSQSPXEZLE-UHFFFAOYSA-N 2 2 348.494 4.009 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001201838708 1054931646 /nfs/dbraw/zinc/93/16/46/1054931646.db2.gz DPCRZGIVZHTKBN-NHCUHLMSSA-N 2 2 329.532 4.196 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000377837931 1022042429 /nfs/dbraw/zinc/04/24/29/1022042429.db2.gz SSVGKLGBHYQXOZ-INIZCTEOSA-N 2 2 345.874 4.077 20 30 EIEDLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OCC#N)cc1 ZINC000181837703 1022728129 /nfs/dbraw/zinc/72/81/29/1022728129.db2.gz KGLFYJNEBFMNRC-IAGOWNOFSA-N 2 2 346.434 4.186 20 30 EIEDLP CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000500046822 1023468131 /nfs/dbraw/zinc/46/81/31/1023468131.db2.gz BHLWOGSBTOEBMF-UHFFFAOYSA-N 2 2 339.527 4.245 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000531452162 1024991623 /nfs/dbraw/zinc/99/16/23/1024991623.db2.gz BKOHJPGGWAJRFU-UHFFFAOYSA-N 2 2 333.545 4.321 20 30 EIEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000344055351 1025928244 /nfs/dbraw/zinc/92/82/44/1025928244.db2.gz LJZRAXXLFGQHEU-JOCHJYFZSA-N 2 2 333.479 4.264 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000507629991 1026859492 /nfs/dbraw/zinc/85/94/92/1026859492.db2.gz MYUSDZLOZPNCLZ-KPQWGBOZSA-N 2 2 339.527 4.101 20 30 EIEDLP C=CCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000475568653 1027662496 /nfs/dbraw/zinc/66/24/96/1027662496.db2.gz DUKAHXDSVHVXKN-UHFFFAOYSA-N 2 2 334.891 4.011 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735355 1029751380 /nfs/dbraw/zinc/75/13/80/1029751380.db2.gz MZKAYDCTFAHEMI-VGSWGCGISA-N 2 2 348.494 4.220 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000449670066 1031917339 /nfs/dbraw/zinc/91/73/39/1031917339.db2.gz OMEGUZYPWHFVMO-NRFANRHFSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000594988716 1035520665 /nfs/dbraw/zinc/52/06/65/1035520665.db2.gz BWHUWJGWKHLPBI-PBPGXSGUSA-N 2 2 343.490 4.029 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCC3CCCCC3)CC2)c1 ZINC000593695008 1036899065 /nfs/dbraw/zinc/89/90/65/1036899065.db2.gz FNMHQOCYXUDCAS-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4occc4c3)CC2)cc1 ZINC000594965611 1038548613 /nfs/dbraw/zinc/54/86/13/1038548613.db2.gz BAZVLWQQKJGBOZ-UHFFFAOYSA-N 2 2 345.446 4.059 20 30 EIEDLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540594062 1041549709 /nfs/dbraw/zinc/54/97/09/1041549709.db2.gz DGMXZECBYKSOJY-IFMALSPDSA-N 2 2 339.527 4.471 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124063340 1044821547 /nfs/dbraw/zinc/82/15/47/1044821547.db2.gz NFNZIEQYHMRTMZ-AEFFLSMTSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000124063340 1044821550 /nfs/dbraw/zinc/82/15/50/1044821550.db2.gz NFNZIEQYHMRTMZ-AEFFLSMTSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124063340 1044821553 /nfs/dbraw/zinc/82/15/53/1044821553.db2.gz NFNZIEQYHMRTMZ-AEFFLSMTSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124063340 1044821555 /nfs/dbraw/zinc/82/15/55/1044821555.db2.gz NFNZIEQYHMRTMZ-AEFFLSMTSA-N 2 2 339.508 4.105 20 30 EIEDLP C=C(C)CC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509348246 1044999665 /nfs/dbraw/zinc/99/96/65/1044999665.db2.gz LYNBUJGLKKOUAZ-UHFFFAOYSA-N 2 2 330.520 4.165 20 30 EIEDLP C=C(C)CC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509348246 1044999678 /nfs/dbraw/zinc/99/96/78/1044999678.db2.gz LYNBUJGLKKOUAZ-UHFFFAOYSA-N 2 2 330.520 4.165 20 30 EIEDLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000611438840 1045308488 /nfs/dbraw/zinc/30/84/88/1045308488.db2.gz BAASJDIRTVTLHW-HSZRJFAPSA-N 2 2 345.490 4.108 20 30 EIEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000537297026 1047079266 /nfs/dbraw/zinc/07/92/66/1047079266.db2.gz LQHDAFDHCDIXOW-SFHVURJKSA-N 2 2 339.527 4.329 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000556583760 1047832363 /nfs/dbraw/zinc/83/23/63/1047832363.db2.gz LHRQZJOEPFETJK-HNNXBMFYSA-N 2 2 336.907 4.428 20 30 EIEDLP C=CC[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948387 1048761253 /nfs/dbraw/zinc/76/12/53/1048761253.db2.gz DZJWJLPQVQDQDQ-IEBWSBKVSA-N 2 2 327.516 4.374 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091334224 1050252461 /nfs/dbraw/zinc/25/24/61/1050252461.db2.gz NXQZJIVHLWUEEJ-GOSISDBHSA-N 2 2 349.316 4.140 20 30 EIEDLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000181757044 1050325592 /nfs/dbraw/zinc/32/55/92/1050325592.db2.gz VPTSDICQNFSGAD-IBGZPJMESA-N 2 2 347.506 4.490 20 30 EIEDLP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181778891 1050328923 /nfs/dbraw/zinc/32/89/23/1050328923.db2.gz WXPSOJAESVVZDW-IBGZPJMESA-N 2 2 347.506 4.224 20 30 EIEDLP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796123 1050336141 /nfs/dbraw/zinc/33/61/41/1050336141.db2.gz YSWVORDQJXYQLR-UWJYYQICSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OCC#N)cc1 ZINC000181837665 1050347195 /nfs/dbraw/zinc/34/71/95/1050347195.db2.gz KGLFYJNEBFMNRC-SJORKVTESA-N 2 2 346.434 4.186 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000152952662 1050907281 /nfs/dbraw/zinc/90/72/81/1050907281.db2.gz DHBSLJZBLZWDPB-AWEZNQCLSA-N 2 2 342.405 4.276 20 30 EIEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898029 1052621522 /nfs/dbraw/zinc/62/15/22/1052621522.db2.gz WORQPIXFNQWBKR-FGZHOGPDSA-N 2 2 342.446 4.144 20 30 EIEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072898029 1052621523 /nfs/dbraw/zinc/62/15/23/1052621523.db2.gz WORQPIXFNQWBKR-FGZHOGPDSA-N 2 2 342.446 4.144 20 30 EIEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000765259141 1053478579 /nfs/dbraw/zinc/47/85/79/1053478579.db2.gz NTBRDOHXRVUFHM-MRXNPFEDSA-N 2 2 333.863 4.145 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193918 1054533813 /nfs/dbraw/zinc/53/38/13/1054533813.db2.gz WTKLAXFKOWSGFT-QFBILLFUSA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193918 1054533827 /nfs/dbraw/zinc/53/38/27/1054533827.db2.gz WTKLAXFKOWSGFT-QFBILLFUSA-N 2 2 334.467 4.032 20 30 EIEDLP CCCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201840020 1054931538 /nfs/dbraw/zinc/93/15/38/1054931538.db2.gz RRNFKFWLQZCPQN-BGYRXZFFSA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201840020 1054931549 /nfs/dbraw/zinc/93/15/49/1054931549.db2.gz RRNFKFWLQZCPQN-BGYRXZFFSA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201840020 1054931560 /nfs/dbraw/zinc/93/15/60/1054931560.db2.gz RRNFKFWLQZCPQN-BGYRXZFFSA-N 2 2 329.532 4.196 20 30 EIEDLP CCCCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201840020 1054931565 /nfs/dbraw/zinc/93/15/65/1054931565.db2.gz RRNFKFWLQZCPQN-BGYRXZFFSA-N 2 2 329.532 4.196 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(OCC)c(OCC)c2)CC1 ZINC000177912825 1032512990 /nfs/dbraw/zinc/51/29/90/1032512990.db2.gz XXOGZJZNBBCEGK-LJQANCHMSA-N 2 2 346.515 4.175 20 30 EIEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716664 1024253550 /nfs/dbraw/zinc/25/35/50/1024253550.db2.gz DRHJMCMZHRNCTH-ZVDOUQERSA-N 2 2 342.527 4.221 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC3CCCCC3)CC2)cc1 ZINC000538398118 1025390489 /nfs/dbraw/zinc/39/04/89/1025390489.db2.gz KDMCIPGSZQOHMR-UHFFFAOYSA-N 2 2 339.527 4.473 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000431339872 1026036597 /nfs/dbraw/zinc/03/65/97/1026036597.db2.gz ZKXKBOCTNWCUSG-HXUWFJFHSA-N 2 2 328.500 4.264 20 30 EIEDLP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342815984 1027122713 /nfs/dbraw/zinc/12/27/13/1027122713.db2.gz RYIQYMUZERTCLV-MRXNPFEDSA-N 2 2 328.419 4.084 20 30 EIEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000278571683 1029523878 /nfs/dbraw/zinc/52/38/78/1029523878.db2.gz JGHGMFOJOWJJQB-UHFFFAOYSA-N 2 2 349.478 4.235 20 30 EIEDLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000447562529 1030171387 /nfs/dbraw/zinc/17/13/87/1030171387.db2.gz LTTXMKNVEZDXEB-NRFANRHFSA-N 2 2 330.435 4.044 20 30 EIEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000657929148 1030618688 /nfs/dbraw/zinc/61/86/88/1030618688.db2.gz CPSTULGZGOZJHZ-QFUCXCTJSA-N 2 2 327.516 4.332 20 30 EIEDLP CC1=C[C@@H](C)C[C@H](C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593693147 1036899169 /nfs/dbraw/zinc/89/91/69/1036899169.db2.gz QTNRVRIVLDOKSX-UTKZUKDTSA-N 2 2 337.511 4.105 20 30 EIEDLP CC[N@@H+](Cc1ccc(C#N)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488432757 1037589714 /nfs/dbraw/zinc/58/97/14/1037589714.db2.gz HNIUMILSTQXWDF-UHFFFAOYSA-N 2 2 348.494 4.000 20 30 EIEDLP CC[N@H+](Cc1ccc(C#N)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488432757 1037589718 /nfs/dbraw/zinc/58/97/18/1037589718.db2.gz HNIUMILSTQXWDF-UHFFFAOYSA-N 2 2 348.494 4.000 20 30 EIEDLP C=CCOc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608069675 1038481943 /nfs/dbraw/zinc/48/19/43/1038481943.db2.gz DRVUCZWPFMZIAN-NRFANRHFSA-N 2 2 347.462 4.059 20 30 EIEDLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000237527971 1040560980 /nfs/dbraw/zinc/56/09/80/1040560980.db2.gz DZMIZEMKTSGESX-SFHVURJKSA-N 2 2 333.479 4.311 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609153 1041561117 /nfs/dbraw/zinc/56/11/17/1041561117.db2.gz DKKTWCVJXMNQRC-PGRDOPGGSA-N 2 2 344.462 4.464 20 30 EIEDLP Clc1cccc(C#CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543061807 1043704312 /nfs/dbraw/zinc/70/43/12/1043704312.db2.gz KKABMBZRCXSDDX-UHFFFAOYSA-N 2 2 341.886 4.080 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318570 1044830121 /nfs/dbraw/zinc/83/01/21/1044830121.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318570 1044830133 /nfs/dbraw/zinc/83/01/33/1044830133.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318570 1044830134 /nfs/dbraw/zinc/83/01/34/1044830134.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318570 1044830135 /nfs/dbraw/zinc/83/01/35/1044830135.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318571 1044831079 /nfs/dbraw/zinc/83/10/79/1044831079.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC000093318571 1044831080 /nfs/dbraw/zinc/83/10/80/1044831080.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318571 1044831083 /nfs/dbraw/zinc/83/10/83/1044831083.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1Cc1ccccc1 ZINC000093318571 1044831087 /nfs/dbraw/zinc/83/10/87/1044831087.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034567 1044952443 /nfs/dbraw/zinc/95/24/43/1044952443.db2.gz QPZKKQJJYJMCAK-HGKCTWBKSA-N 2 2 339.508 4.151 20 30 EIEDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034567 1044952447 /nfs/dbraw/zinc/95/24/47/1044952447.db2.gz QPZKKQJJYJMCAK-HGKCTWBKSA-N 2 2 339.508 4.151 20 30 EIEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001171211413 1048808796 /nfs/dbraw/zinc/80/87/96/1048808796.db2.gz ZDDCOZIAPSAZPD-LJQANCHMSA-N 2 2 347.506 4.086 20 30 EIEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001171211413 1048808801 /nfs/dbraw/zinc/80/88/01/1048808801.db2.gz ZDDCOZIAPSAZPD-LJQANCHMSA-N 2 2 347.506 4.086 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(c4ccccc4)CCC3)CC2)cc1 ZINC000180350753 1049883325 /nfs/dbraw/zinc/88/33/25/1049883325.db2.gz ICAAHACLDPZFQN-UHFFFAOYSA-N 2 2 345.490 4.192 20 30 EIEDLP CCCCCCC[C@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172357701 1049894285 /nfs/dbraw/zinc/89/42/85/1049894285.db2.gz LVUWCAZYOMIJOJ-KRWDZBQOSA-N 2 2 344.503 4.417 20 30 EIEDLP CCCCCCC[C@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172357701 1049894288 /nfs/dbraw/zinc/89/42/88/1049894288.db2.gz LVUWCAZYOMIJOJ-KRWDZBQOSA-N 2 2 344.503 4.417 20 30 EIEDLP CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001177217198 1050167215 /nfs/dbraw/zinc/16/72/15/1050167215.db2.gz CLVFHBNEXGDZPC-UHFFFAOYSA-N 2 2 344.462 4.022 20 30 EIEDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181535988 1050190403 /nfs/dbraw/zinc/19/04/03/1050190403.db2.gz CQLQJHQYRJIOQI-GOSISDBHSA-N 2 2 333.479 4.182 20 30 EIEDLP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181676908 1050290550 /nfs/dbraw/zinc/29/05/50/1050290550.db2.gz KMNVZHHCAVPXND-QFIPXVFZSA-N 2 2 347.506 4.134 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC001179044690 1050615872 /nfs/dbraw/zinc/61/58/72/1050615872.db2.gz NFJGNHNDYTUNHM-ZWKOTPCHSA-N 2 2 334.891 4.011 20 30 EIEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC001179044690 1050615877 /nfs/dbraw/zinc/61/58/77/1050615877.db2.gz NFJGNHNDYTUNHM-ZWKOTPCHSA-N 2 2 334.891 4.011 20 30 EIEDLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1O ZINC000866219436 1053655023 /nfs/dbraw/zinc/65/50/23/1053655023.db2.gz NUWFXRVTEHDFOY-KRWDZBQOSA-N 2 2 349.478 4.101 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866261631 1053667173 /nfs/dbraw/zinc/66/71/73/1053667173.db2.gz XSYCIPZUVRVZBH-CYBMUJFWSA-N 2 2 333.863 4.172 20 30 EIEDLP CCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814239 1054913049 /nfs/dbraw/zinc/91/30/49/1054913049.db2.gz MYWAZDXFHYDFJK-ROUUACIJSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814239 1054913064 /nfs/dbraw/zinc/91/30/64/1054913064.db2.gz MYWAZDXFHYDFJK-ROUUACIJSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201814239 1054913080 /nfs/dbraw/zinc/91/30/80/1054913080.db2.gz MYWAZDXFHYDFJK-ROUUACIJSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201814239 1054913096 /nfs/dbraw/zinc/91/30/96/1054913096.db2.gz MYWAZDXFHYDFJK-ROUUACIJSA-N 2 2 335.561 4.400 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067024 1055011467 /nfs/dbraw/zinc/01/14/67/1055011467.db2.gz AGPVFITUFNHFJZ-UGKGYDQZSA-N 2 2 349.453 4.155 20 30 EIEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067024 1055011485 /nfs/dbraw/zinc/01/14/85/1055011485.db2.gz AGPVFITUFNHFJZ-UGKGYDQZSA-N 2 2 349.453 4.155 20 30 EIEDLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025035 1022413168 /nfs/dbraw/zinc/41/31/68/1022413168.db2.gz FNVKMYAITQNUEW-PXNSSMCTSA-N 2 2 325.500 4.081 20 30 EIEDLP Cc1cccc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000546227996 1026821323 /nfs/dbraw/zinc/82/13/23/1026821323.db2.gz GHLHVNUEEBZLRY-LJQANCHMSA-N 2 2 347.506 4.490 20 30 EIEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000657929146 1030620160 /nfs/dbraw/zinc/62/01/60/1030620160.db2.gz CPSTULGZGOZJHZ-FBBABVLZSA-N 2 2 327.516 4.332 20 30 EIEDLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000500900572 1034004472 /nfs/dbraw/zinc/00/44/72/1034004472.db2.gz WZXGWCQAHCUXGC-JOCHJYFZSA-N 2 2 347.506 4.121 20 30 EIEDLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000500900572 1034004495 /nfs/dbraw/zinc/00/44/95/1034004495.db2.gz WZXGWCQAHCUXGC-JOCHJYFZSA-N 2 2 347.506 4.121 20 30 EIEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000595091234 1035601228 /nfs/dbraw/zinc/60/12/28/1035601228.db2.gz OJTSLBRCHFYFGU-MZADTFQBSA-N 2 2 337.511 4.246 20 30 EIEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000595091234 1035601248 /nfs/dbraw/zinc/60/12/48/1035601248.db2.gz OJTSLBRCHFYFGU-MZADTFQBSA-N 2 2 337.511 4.246 20 30 EIEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423510938 1038267362 /nfs/dbraw/zinc/26/73/62/1038267362.db2.gz SXRVPCQTJRLTFO-GTMAMOSYSA-N 2 2 347.506 4.243 20 30 EIEDLP C=CCC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283585 1039347469 /nfs/dbraw/zinc/34/74/69/1039347469.db2.gz DEKWFRQSWUKSPN-WIYYLYMNSA-N 2 2 342.527 4.221 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924986660 1039954206 /nfs/dbraw/zinc/95/42/06/1039954206.db2.gz MKNHBURBTXEHOE-GFCCVEGCSA-N 2 2 332.435 4.458 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCC3CCCC3)CC2)cc1 ZINC000540594861 1041551161 /nfs/dbraw/zinc/55/11/61/1041551161.db2.gz GWVMWLDFYZLZAE-UHFFFAOYSA-N 2 2 339.527 4.473 20 30 EIEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000090117468 1041849076 /nfs/dbraw/zinc/84/90/76/1041849076.db2.gz XGLHHTHTRGWYLQ-CQSZACIVSA-N 2 2 334.398 4.042 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000177910860 1042854522 /nfs/dbraw/zinc/85/45/22/1042854522.db2.gz YMOCWONYCZRAMW-DYVFJYSZSA-N 2 2 349.316 4.237 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177911466 1042854544 /nfs/dbraw/zinc/85/45/44/1042854544.db2.gz SAEVOOCILMCXKY-GFCCVEGCSA-N 2 2 344.833 4.242 20 30 EIEDLP C[C@H]1CC([NH2+]Cc2ccccc2C#N)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168016436 1044249762 /nfs/dbraw/zinc/24/97/62/1044249762.db2.gz VWVBUJHFCYZIFR-ROUUACIJSA-N 2 2 333.479 4.089 20 30 EIEDLP Oc1ccc2ccccc2c1/C=[NH+]\CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771519440 1046432705 /nfs/dbraw/zinc/43/27/05/1046432705.db2.gz FGPJKKPTGZIGRY-JLPGSUDCSA-N 2 2 345.446 4.276 20 30 EIEDLP C=CC[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948389 1048760933 /nfs/dbraw/zinc/76/09/33/1048760933.db2.gz DZJWJLPQVQDQDQ-PKOBYXMFSA-N 2 2 327.516 4.374 20 30 EIEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954553 1049067072 /nfs/dbraw/zinc/06/70/72/1049067072.db2.gz YNGYNOCMEHWTIY-KKSFZXQISA-N 2 2 337.467 4.063 20 30 EIEDLP CCCCCCCOc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC001178851974 1050572511 /nfs/dbraw/zinc/57/25/11/1050572511.db2.gz PQDVJKGINMIJSO-GOSISDBHSA-N 2 2 341.499 4.406 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000152968599 1050913040 /nfs/dbraw/zinc/91/30/40/1050913040.db2.gz RGPNJBLOLFWJJP-OAHLLOKOSA-N 2 2 338.442 4.288 20 30 EIEDLP Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1C#N ZINC001176990141 1052215100 /nfs/dbraw/zinc/21/51/00/1052215100.db2.gz CUGGXBJMLLIQLM-SFHVURJKSA-N 2 2 336.483 4.198 20 30 EIEDLP Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1C#N ZINC001176990141 1052215109 /nfs/dbraw/zinc/21/51/09/1052215109.db2.gz CUGGXBJMLLIQLM-SFHVURJKSA-N 2 2 336.483 4.198 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623889169 1052833377 /nfs/dbraw/zinc/83/33/77/1052833377.db2.gz GGTVKNBIYXNEJD-AWEZNQCLSA-N 2 2 337.305 4.059 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193920 1054533946 /nfs/dbraw/zinc/53/39/46/1054533946.db2.gz WTKLAXFKOWSGFT-VQIMIIECSA-N 2 2 334.467 4.032 20 30 EIEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282193920 1054533964 /nfs/dbraw/zinc/53/39/64/1054533964.db2.gz WTKLAXFKOWSGFT-VQIMIIECSA-N 2 2 334.467 4.032 20 30 EIEDLP CC[N@@H+](Cc1ccc(C#N)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000186246193 1055274284 /nfs/dbraw/zinc/27/42/84/1055274284.db2.gz NXQDMCCNBJTOTL-UHFFFAOYSA-N 2 2 348.494 4.000 20 30 EIEDLP CC[N@H+](Cc1ccc(C#N)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000186246193 1055274311 /nfs/dbraw/zinc/27/43/11/1055274311.db2.gz NXQDMCCNBJTOTL-UHFFFAOYSA-N 2 2 348.494 4.000 20 30 EIEDLP CC(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542843273 1056217895 /nfs/dbraw/zinc/21/78/95/1056217895.db2.gz MTXMVCNMTDQPHK-UHFFFAOYSA-N 2 2 347.506 4.436 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655731195 1032261224 /nfs/dbraw/zinc/26/12/24/1032261224.db2.gz QVPMPKXDJBGKDN-UHFFFAOYSA-N 2 2 341.524 4.167 20 30 EIEDLP CC1(C)CCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203209293 1022981406 /nfs/dbraw/zinc/98/14/06/1022981406.db2.gz ZFPHTDLUQRCGGB-FQEVSTJZSA-N 2 2 339.527 4.329 20 30 EIEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000344055352 1025926452 /nfs/dbraw/zinc/92/64/52/1025926452.db2.gz LJZRAXXLFGQHEU-QFIPXVFZSA-N 2 2 333.479 4.264 20 30 EIEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635261 1026859919 /nfs/dbraw/zinc/85/99/19/1026859919.db2.gz IZWFNIYEHRCDQO-IVCWUUCSSA-N 2 2 339.527 4.243 20 30 EIEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635261 1026859922 /nfs/dbraw/zinc/85/99/22/1026859922.db2.gz IZWFNIYEHRCDQO-IVCWUUCSSA-N 2 2 339.527 4.243 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000346099119 1028256976 /nfs/dbraw/zinc/25/69/76/1028256976.db2.gz MPLPRFFUTMTKQP-SFHVURJKSA-N 2 2 334.891 4.184 20 30 EIEDLP CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000449070618 1031423216 /nfs/dbraw/zinc/42/32/16/1031423216.db2.gz KUSSOVQMRYGOMY-ATKRNPRHSA-N 2 2 339.527 4.131 20 30 EIEDLP CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000449070618 1031423229 /nfs/dbraw/zinc/42/32/29/1031423229.db2.gz KUSSOVQMRYGOMY-ATKRNPRHSA-N 2 2 339.527 4.131 20 30 EIEDLP C[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000449260005 1031598824 /nfs/dbraw/zinc/59/88/24/1031598824.db2.gz ULACJBSIHITZHG-XVAXZDLZSA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000449260005 1031598829 /nfs/dbraw/zinc/59/88/29/1031598829.db2.gz ULACJBSIHITZHG-XVAXZDLZSA-N 2 2 325.500 4.103 20 30 EIEDLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000449465038 1031785938 /nfs/dbraw/zinc/78/59/38/1031785938.db2.gz ATMZKQOYJFCGNM-HXUWFJFHSA-N 2 2 327.516 4.327 20 30 EIEDLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1F ZINC000512610776 1033493851 /nfs/dbraw/zinc/49/38/51/1033493851.db2.gz DURCOWNBIMWLLW-HNNXBMFYSA-N 2 2 329.463 4.145 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430019071 1035012164 /nfs/dbraw/zinc/01/21/64/1035012164.db2.gz GHLUXLGRMWHHGR-UHFFFAOYSA-N 2 2 348.918 4.259 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050069 1039917940 /nfs/dbraw/zinc/91/79/40/1039917940.db2.gz DGPFSUUOJHTRCP-NHCUHLMSSA-N 2 2 336.479 4.177 20 30 EIEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050069 1039917951 /nfs/dbraw/zinc/91/79/51/1039917951.db2.gz DGPFSUUOJHTRCP-NHCUHLMSSA-N 2 2 336.479 4.177 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000482629751 1040398158 /nfs/dbraw/zinc/39/81/58/1040398158.db2.gz OSJJENCHFMUQQR-NRFANRHFSA-N 2 2 330.516 4.413 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000482639518 1040403329 /nfs/dbraw/zinc/40/33/29/1040403329.db2.gz GHUCYKKPRDIYNO-OAHLLOKOSA-N 2 2 336.907 4.430 20 30 EIEDLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243826 1041451560 /nfs/dbraw/zinc/45/15/60/1041451560.db2.gz UMSBRPGUYCNXNZ-NLWGTHIKSA-N 2 2 325.500 4.322 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000178276367 1042862592 /nfs/dbraw/zinc/86/25/92/1042862592.db2.gz WMZJCQUFVBEWCB-GOSISDBHSA-N 2 2 334.891 4.102 20 30 EIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000390708475 1044058364 /nfs/dbraw/zinc/05/83/64/1044058364.db2.gz VZMDZFPRWWYROD-IBGZPJMESA-N 2 2 339.508 4.010 20 30 EIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000390708475 1044058372 /nfs/dbraw/zinc/05/83/72/1044058372.db2.gz VZMDZFPRWWYROD-IBGZPJMESA-N 2 2 339.508 4.010 20 30 EIEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000611391337 1045302918 /nfs/dbraw/zinc/30/29/18/1045302918.db2.gz BUQMINUJJVNBHO-FQEVSTJZSA-N 2 2 346.409 4.050 20 30 EIEDLP C=CCCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532260 1045543266 /nfs/dbraw/zinc/54/32/66/1045543266.db2.gz WELSWFDVJVCJOL-UHFFFAOYSA-N 2 2 330.520 4.165 20 30 EIEDLP C=CCCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532260 1045543276 /nfs/dbraw/zinc/54/32/76/1045543276.db2.gz WELSWFDVJVCJOL-UHFFFAOYSA-N 2 2 330.520 4.165 20 30 EIEDLP C[NH+](C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001173593222 1050497633 /nfs/dbraw/zinc/49/76/33/1050497633.db2.gz JFUVDWLLKLRHPK-NECZYXOUSA-N 2 2 343.559 4.195 20 30 EIEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001183292706 1051822205 /nfs/dbraw/zinc/82/22/05/1051822205.db2.gz SNWVRZSBRBJFHP-NJDAHSKKSA-N 2 2 325.500 4.103 20 30 EIEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183292706 1051822208 /nfs/dbraw/zinc/82/22/08/1051822208.db2.gz SNWVRZSBRBJFHP-NJDAHSKKSA-N 2 2 325.500 4.103 20 30 EIEDLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)CC1 ZINC001196935446 1053808973 /nfs/dbraw/zinc/80/89/73/1053808973.db2.gz JDLMVNPXRRPRDV-OAQYLSRUSA-N 2 2 344.930 4.278 20 30 EIEDLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)CC1 ZINC001196935446 1053808978 /nfs/dbraw/zinc/80/89/78/1053808978.db2.gz JDLMVNPXRRPRDV-OAQYLSRUSA-N 2 2 344.930 4.278 20 30 EIEDLP CCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814245 1054911871 /nfs/dbraw/zinc/91/18/71/1054911871.db2.gz MYWAZDXFHYDFJK-ZWKOTPCHSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814245 1054911884 /nfs/dbraw/zinc/91/18/84/1054911884.db2.gz MYWAZDXFHYDFJK-ZWKOTPCHSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201814245 1054911897 /nfs/dbraw/zinc/91/18/97/1054911897.db2.gz MYWAZDXFHYDFJK-ZWKOTPCHSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201814245 1054911911 /nfs/dbraw/zinc/91/19/11/1054911911.db2.gz MYWAZDXFHYDFJK-ZWKOTPCHSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201813925 1054912024 /nfs/dbraw/zinc/91/20/24/1054912024.db2.gz KYJARURGGJMVSG-UHFFFAOYSA-N 2 2 332.536 4.045 20 30 EIEDLP CCCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201813925 1054912030 /nfs/dbraw/zinc/91/20/30/1054912030.db2.gz KYJARURGGJMVSG-UHFFFAOYSA-N 2 2 332.536 4.045 20 30 EIEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000553776965 1055822033 /nfs/dbraw/zinc/82/20/33/1055822033.db2.gz HOJTUMBSUSMQFB-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124062913 1021657310 /nfs/dbraw/zinc/65/73/10/1021657310.db2.gz NFNZIEQYHMRTMZ-SJLPKXTDSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000124062913 1021657320 /nfs/dbraw/zinc/65/73/20/1021657320.db2.gz NFNZIEQYHMRTMZ-SJLPKXTDSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124062913 1021657331 /nfs/dbraw/zinc/65/73/31/1021657331.db2.gz NFNZIEQYHMRTMZ-SJLPKXTDSA-N 2 2 339.508 4.105 20 30 EIEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1Cc1ccccc1 ZINC000124062913 1021657338 /nfs/dbraw/zinc/65/73/38/1021657338.db2.gz NFNZIEQYHMRTMZ-SJLPKXTDSA-N 2 2 339.508 4.105 20 30 EIEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181479277 1023195706 /nfs/dbraw/zinc/19/57/06/1023195706.db2.gz WRYRKTKHOANJLI-UHFFFAOYSA-N 2 2 347.506 4.090 20 30 EIEDLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538397991 1025389455 /nfs/dbraw/zinc/38/94/55/1025389455.db2.gz IKIBLHFSHOGATD-TZIWHRDSSA-N 2 2 325.500 4.081 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000507654478 1026862574 /nfs/dbraw/zinc/86/25/74/1026862574.db2.gz UJOPDWMARNFMEH-ONZKCSKKSA-N 2 2 339.527 4.101 20 30 EIEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000507654478 1026862583 /nfs/dbraw/zinc/86/25/83/1026862583.db2.gz UJOPDWMARNFMEH-ONZKCSKKSA-N 2 2 339.527 4.101 20 30 EIEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187010 1027635354 /nfs/dbraw/zinc/63/53/54/1027635354.db2.gz QTXCFXPWLOYAGG-SJLPKXTDSA-N 2 2 340.471 4.068 20 30 EIEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187010 1027635376 /nfs/dbraw/zinc/63/53/76/1027635376.db2.gz QTXCFXPWLOYAGG-SJLPKXTDSA-N 2 2 340.471 4.068 20 30 EIEDLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000101544935 1029210585 /nfs/dbraw/zinc/21/05/85/1029210585.db2.gz DDDHLVUHBXBAMS-QGZVFWFLSA-N 2 2 330.435 4.327 20 30 EIEDLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000101544935 1029210597 /nfs/dbraw/zinc/21/05/97/1029210597.db2.gz DDDHLVUHBXBAMS-QGZVFWFLSA-N 2 2 330.435 4.327 20 30 EIEDLP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527788016 1030847531 /nfs/dbraw/zinc/84/75/31/1030847531.db2.gz IKWJUNYHYGGODC-UHFFFAOYSA-N 2 2 349.469 4.184 20 30 EIEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988646 1031897425 /nfs/dbraw/zinc/89/74/25/1031897425.db2.gz XBPNYLHOHRMCCE-GOTSBHOMSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000531988646 1031897426 /nfs/dbraw/zinc/89/74/26/1031897426.db2.gz XBPNYLHOHRMCCE-GOTSBHOMSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988646 1031897427 /nfs/dbraw/zinc/89/74/27/1031897427.db2.gz XBPNYLHOHRMCCE-GOTSBHOMSA-N 2 2 345.490 4.045 20 30 EIEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000531988646 1031897433 /nfs/dbraw/zinc/89/74/33/1031897433.db2.gz XBPNYLHOHRMCCE-GOTSBHOMSA-N 2 2 345.490 4.045 20 30 EIEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594965185 1038557030 /nfs/dbraw/zinc/55/70/30/1038557030.db2.gz RHNYMKFXWAVHNB-UNMCSNQZSA-N 2 2 337.511 4.247 20 30 EIEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594965182 1038560028 /nfs/dbraw/zinc/56/00/28/1038560028.db2.gz RHNYMKFXWAVHNB-IFMALSPDSA-N 2 2 337.511 4.247 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513830042 1039308342 /nfs/dbraw/zinc/30/83/42/1039308342.db2.gz OTOCAMPCOIKYNZ-HXUWFJFHSA-N 2 2 340.511 4.453 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513830041 1039308887 /nfs/dbraw/zinc/30/88/87/1039308887.db2.gz OTOCAMPCOIKYNZ-FQEVSTJZSA-N 2 2 340.511 4.453 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCCC)c(OC)c2)CC1 ZINC000482633370 1040400478 /nfs/dbraw/zinc/40/04/78/1040400478.db2.gz QKZAQIPFWXFRSA-QGZVFWFLSA-N 2 2 346.515 4.175 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482652104 1040412079 /nfs/dbraw/zinc/41/20/79/1040412079.db2.gz PZPYXUMHOXFVDG-OAHLLOKOSA-N 2 2 328.456 4.051 20 30 EIEDLP CC(C)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539510650 1040490794 /nfs/dbraw/zinc/49/07/94/1040490794.db2.gz IVECEZHSDTUICM-UHFFFAOYSA-N 2 2 327.516 4.185 20 30 EIEDLP CCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538395913 1041313217 /nfs/dbraw/zinc/31/32/17/1041313217.db2.gz SNPPXAOPAUSQEP-RBBKRZOGSA-N 2 2 339.527 4.471 20 30 EIEDLP CCC1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538394800 1041313359 /nfs/dbraw/zinc/31/33/59/1041313359.db2.gz PMPRATPOTGHRHE-UHFFFAOYSA-N 2 2 339.527 4.329 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC000177910250 1042854586 /nfs/dbraw/zinc/85/45/86/1042854586.db2.gz JSYQZAHPGWEEER-LJQANCHMSA-N 2 2 334.507 4.447 20 30 EIEDLP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537306700 1047091640 /nfs/dbraw/zinc/09/16/40/1047091640.db2.gz MCUIKLUDNWORGW-QHCPKHFHSA-N 2 2 345.490 4.108 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810216950 1048686664 /nfs/dbraw/zinc/68/66/64/1048686664.db2.gz SYZOTSUDQQGGMZ-MRXNPFEDSA-N 2 2 342.405 4.102 20 30 EIEDLP C#C[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793269 1049593394 /nfs/dbraw/zinc/59/33/94/1049593394.db2.gz RJMUFUKHLZRMLV-AGHHOFFYSA-N 2 2 336.454 4.000 20 30 EIEDLP C#C[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793269 1049593411 /nfs/dbraw/zinc/59/34/11/1049593411.db2.gz RJMUFUKHLZRMLV-AGHHOFFYSA-N 2 2 336.454 4.000 20 30 EIEDLP C=CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842601 1049606800 /nfs/dbraw/zinc/60/68/00/1049606800.db2.gz MTDPZOQVKMFOLS-GOSISDBHSA-N 2 2 329.532 4.446 20 30 EIEDLP CN(c1ccc([NH2+]C2CCC(C)(C#N)CC2)cc1)C1CC[NH+](C)CC1 ZINC000823507987 1049856362 /nfs/dbraw/zinc/85/63/62/1049856362.db2.gz PFFAGZOYLHDHQR-UHFFFAOYSA-N 2 2 340.515 4.101 20 30 EIEDLP C=CCC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000121380849 1051182200 /nfs/dbraw/zinc/18/22/00/1051182200.db2.gz QGOZUBCATKZRBO-NRFANRHFSA-N 2 2 327.516 4.056 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000623889326 1052833732 /nfs/dbraw/zinc/83/37/32/1052833732.db2.gz KNBKROAFKCZXRI-LBPRGKRZSA-N 2 2 330.369 4.146 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429518363 1053891467 /nfs/dbraw/zinc/89/14/67/1053891467.db2.gz LUXJWBWMEITAJB-QFIPXVFZSA-N 2 2 338.470 4.350 20 30 EIEDLP C[N@@H+]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309757 1020749391 /nfs/dbraw/zinc/74/93/91/1020749391.db2.gz XFEPAIKEXORDEJ-BDTNDASRSA-N 2 2 333.479 4.457 20 30 EIEDLP C[N@H+]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309757 1020749398 /nfs/dbraw/zinc/74/93/98/1020749398.db2.gz XFEPAIKEXORDEJ-BDTNDASRSA-N 2 2 333.479 4.457 20 30 EIEDLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309759 1020749777 /nfs/dbraw/zinc/74/97/77/1020749777.db2.gz XFEPAIKEXORDEJ-FDFHNCONSA-N 2 2 333.479 4.457 20 30 EIEDLP C[N@H+]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309759 1020749788 /nfs/dbraw/zinc/74/97/88/1020749788.db2.gz XFEPAIKEXORDEJ-FDFHNCONSA-N 2 2 333.479 4.457 20 30 EIEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2cccs2)[NH+](C)C)c(O)c1 ZINC000005227962 1025384419 /nfs/dbraw/zinc/38/44/19/1025384419.db2.gz FJQGLHRBCSUCMQ-NNIWKIFQSA-N 2 2 345.512 4.022 20 30 EIEDLP CC[N@H+](CCCCC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000277791960 1026952165 /nfs/dbraw/zinc/95/21/65/1026952165.db2.gz SRSVGPYOICZDQI-UHFFFAOYSA-N 2 2 342.531 4.340 20 30 EIEDLP CC[N@@H+](CCCCC(C)(C)C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000277791960 1026952178 /nfs/dbraw/zinc/95/21/78/1026952178.db2.gz SRSVGPYOICZDQI-UHFFFAOYSA-N 2 2 342.531 4.340 20 30 EIEDLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000346143543 1028279629 /nfs/dbraw/zinc/27/96/29/1028279629.db2.gz DITHDDYHEZWPJH-UHFFFAOYSA-N 2 2 336.464 4.216 20 30 EIEDLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000346143543 1028279654 /nfs/dbraw/zinc/27/96/54/1028279654.db2.gz DITHDDYHEZWPJH-UHFFFAOYSA-N 2 2 336.464 4.216 20 30 EIEDLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447562769 1030172654 /nfs/dbraw/zinc/17/26/54/1030172654.db2.gz MXJXAUFFUYJZCD-OAQYLSRUSA-N 2 2 344.462 4.086 20 30 EIEDLP C=CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453386434 1031896348 /nfs/dbraw/zinc/89/63/48/1031896348.db2.gz VJOCSYDGKSZZJT-AZUAARDMSA-N 2 2 327.516 4.018 20 30 EIEDLP C=CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453386434 1031896349 /nfs/dbraw/zinc/89/63/49/1031896349.db2.gz VJOCSYDGKSZZJT-AZUAARDMSA-N 2 2 327.516 4.018 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000594994223 1035520348 /nfs/dbraw/zinc/52/03/48/1035520348.db2.gz IDQFDQIPPLUHPB-DHIUTWEWSA-N 2 2 345.490 4.058 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000489460931 1038073652 /nfs/dbraw/zinc/07/36/52/1038073652.db2.gz DLBGTGNCXRGBOO-FQEVSTJZSA-N 2 2 328.500 4.264 20 30 EIEDLP C=CCC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283074 1039346521 /nfs/dbraw/zinc/34/65/21/1039346521.db2.gz DEKWFRQSWUKSPN-RXVVDRJESA-N 2 2 342.527 4.221 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000482629753 1040396067 /nfs/dbraw/zinc/39/60/67/1040396067.db2.gz OSJJENCHFMUQQR-OAQYLSRUSA-N 2 2 330.516 4.413 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCCC)c(OC)c2)CC1 ZINC000482633367 1040400801 /nfs/dbraw/zinc/40/08/01/1040400801.db2.gz QKZAQIPFWXFRSA-KRWDZBQOSA-N 2 2 346.515 4.175 20 30 EIEDLP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539494937 1040471923 /nfs/dbraw/zinc/47/19/23/1040471923.db2.gz VYINLTGFGPZGDD-RXVVDRJESA-N 2 2 339.527 4.329 20 30 EIEDLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000463237232 1041444779 /nfs/dbraw/zinc/44/47/79/1041444779.db2.gz LIRXBWNZEKSVBC-LVCYWYKZSA-N 2 2 339.527 4.185 20 30 EIEDLP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983099 1041766302 /nfs/dbraw/zinc/76/63/02/1041766302.db2.gz SYHFTYVLAQAXEI-UNMCSNQZSA-N 2 2 339.527 4.327 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CC1 ZINC000177905086 1042853742 /nfs/dbraw/zinc/85/37/42/1042853742.db2.gz WNHDAUYWNKRHSV-CQSZACIVSA-N 2 2 340.483 4.345 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000172574901 1043804098 /nfs/dbraw/zinc/80/40/98/1043804098.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000172574901 1043804105 /nfs/dbraw/zinc/80/41/05/1043804105.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574901 1043804107 /nfs/dbraw/zinc/80/41/07/1043804107.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000172574901 1043804110 /nfs/dbraw/zinc/80/41/10/1043804110.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 2 2 333.479 4.043 20 30 EIEDLP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000611393446 1045296535 /nfs/dbraw/zinc/29/65/35/1045296535.db2.gz UHZKUUXCCDUIGL-AOMKIAJQSA-N 2 2 342.446 4.472 20 30 EIEDLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465799 1045313079 /nfs/dbraw/zinc/31/30/79/1045313079.db2.gz UYHPYDIMBTUATR-MGPUTAFESA-N 2 2 348.425 4.065 20 30 EIEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170372031 1046031669 /nfs/dbraw/zinc/03/16/69/1046031669.db2.gz UBNLQPDXFPFMBF-FUHYEJFZSA-N 2 2 339.527 4.101 20 30 EIEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170372031 1046031687 /nfs/dbraw/zinc/03/16/87/1046031687.db2.gz UBNLQPDXFPFMBF-FUHYEJFZSA-N 2 2 339.527 4.101 20 30 EIEDLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587641 1046192447 /nfs/dbraw/zinc/19/24/47/1046192447.db2.gz KMMXLCBQIPHZAN-YWZLYKJASA-N 2 2 348.425 4.065 20 30 EIEDLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537292268 1047075865 /nfs/dbraw/zinc/07/58/65/1047075865.db2.gz HHZJJYBZEUGQDK-UWJYYQICSA-N 2 2 339.527 4.327 20 30 EIEDLP C#C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793272 1049591099 /nfs/dbraw/zinc/59/10/99/1049591099.db2.gz RJMUFUKHLZRMLV-ZNLUXHQJSA-N 2 2 336.454 4.000 20 30 EIEDLP C#C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793272 1049591114 /nfs/dbraw/zinc/59/11/14/1049591114.db2.gz RJMUFUKHLZRMLV-ZNLUXHQJSA-N 2 2 336.454 4.000 20 30 EIEDLP N#CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172079520 1049846033 /nfs/dbraw/zinc/84/60/33/1049846033.db2.gz OSBMESPDORKSFL-MZADTFQBSA-N 2 2 337.511 4.388 20 30 EIEDLP N#CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172079520 1049846035 /nfs/dbraw/zinc/84/60/35/1049846035.db2.gz OSBMESPDORKSFL-MZADTFQBSA-N 2 2 337.511 4.388 20 30 EIEDLP N#CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172079521 1049846574 /nfs/dbraw/zinc/84/65/74/1049846574.db2.gz OSBMESPDORKSFL-WKCHPHFGSA-N 2 2 337.511 4.388 20 30 EIEDLP N#CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172079521 1049846576 /nfs/dbraw/zinc/84/65/76/1049846576.db2.gz OSBMESPDORKSFL-WKCHPHFGSA-N 2 2 337.511 4.388 20 30 EIEDLP CCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814233 1054912953 /nfs/dbraw/zinc/91/29/53/1054912953.db2.gz MYWAZDXFHYDFJK-QZTJIDSGSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201814233 1054912968 /nfs/dbraw/zinc/91/29/68/1054912968.db2.gz MYWAZDXFHYDFJK-QZTJIDSGSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201814233 1054912989 /nfs/dbraw/zinc/91/29/89/1054912989.db2.gz MYWAZDXFHYDFJK-QZTJIDSGSA-N 2 2 335.561 4.400 20 30 EIEDLP CCCCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201814233 1054913005 /nfs/dbraw/zinc/91/30/05/1054913005.db2.gz MYWAZDXFHYDFJK-QZTJIDSGSA-N 2 2 335.561 4.400 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000177909357 1021805495 /nfs/dbraw/zinc/80/54/95/1021805495.db2.gz QPWFBCSSKAIIHB-IBGZPJMESA-N 2 2 341.543 4.368 20 30 EIEDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C#N)cc1 ZINC000377078002 1023367104 /nfs/dbraw/zinc/36/71/04/1023367104.db2.gz MYIMHSKNTSXUQK-IBGZPJMESA-N 2 2 334.398 4.124 20 30 EIEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000581864044 1023782094 /nfs/dbraw/zinc/78/20/94/1023782094.db2.gz FLXSRSBCLGLEDZ-QFIPXVFZSA-N 2 2 338.470 4.350 20 30 EIEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716663 1024253977 /nfs/dbraw/zinc/25/39/77/1024253977.db2.gz DRHJMCMZHRNCTH-SFHLNBCPSA-N 2 2 342.527 4.221 20 30 EIEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716661 1024254345 /nfs/dbraw/zinc/25/43/45/1024254345.db2.gz DRHJMCMZHRNCTH-QKNQBKEWSA-N 2 2 342.527 4.221 20 30 EIEDLP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341758442 1024617010 /nfs/dbraw/zinc/61/70/10/1024617010.db2.gz PNEYTHWXYKGMEI-AOMKIAJQSA-N 2 2 342.446 4.472 20 30 EIEDLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635258 1026860390 /nfs/dbraw/zinc/86/03/90/1026860390.db2.gz IZWFNIYEHRCDQO-CDNGDFIJSA-N 2 2 339.527 4.243 20 30 EIEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000153010904 1026938622 /nfs/dbraw/zinc/93/86/22/1026938622.db2.gz SYNKZYWOXNAXEW-LJQANCHMSA-N 2 2 326.484 4.063 20 30 EIEDLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000346139455 1028275969 /nfs/dbraw/zinc/27/59/69/1028275969.db2.gz VMKMLMLQUNYEFS-UHFFFAOYSA-N 2 2 336.464 4.218 20 30 EIEDLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000346139455 1028275986 /nfs/dbraw/zinc/27/59/86/1028275986.db2.gz VMKMLMLQUNYEFS-UHFFFAOYSA-N 2 2 336.464 4.218 20 30 EIEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000657929150 1030617384 /nfs/dbraw/zinc/61/73/84/1030617384.db2.gz CPSTULGZGOZJHZ-YFVAEKQCSA-N 2 2 327.516 4.332 20 30 EIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCC(C)(C#N)CC2)c(C)c1 ZINC000449189741 1031510688 /nfs/dbraw/zinc/51/06/88/1031510688.db2.gz MLDNQVPFOBWBKY-VEDCXYSMSA-N 2 2 336.483 4.303 20 30 EIEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980936 1035512850 /nfs/dbraw/zinc/51/28/50/1035512850.db2.gz DLHUPDWPKPUONU-AZUAARDMSA-N 2 2 325.500 4.103 20 30 EIEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000594980936 1035512889 /nfs/dbraw/zinc/51/28/89/1035512889.db2.gz DLHUPDWPKPUONU-AZUAARDMSA-N 2 2 325.500 4.103 20 30 EIEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000589266791 1036725870 /nfs/dbraw/zinc/72/58/70/1036725870.db2.gz MOIFVQVZSGZPNR-UHFFFAOYSA-N 2 2 349.478 4.235 20 30 EIEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3CCCCCC3)CC2)c1 ZINC000593693309 1036898303 /nfs/dbraw/zinc/89/83/03/1036898303.db2.gz UBLIGJOZSOXNII-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP N#CCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000090665636 1039275668 /nfs/dbraw/zinc/27/56/68/1039275668.db2.gz SVVRHSVGSGYLFH-NRFANRHFSA-N 2 2 325.500 4.418 20 30 EIEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000160008939 1040304395 /nfs/dbraw/zinc/30/43/95/1040304395.db2.gz PFUCZADYSJWTGY-SFHVURJKSA-N 2 2 348.494 4.253 20 30 EIEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000160008939 1040304411 /nfs/dbraw/zinc/30/44/11/1040304411.db2.gz PFUCZADYSJWTGY-SFHVURJKSA-N 2 2 348.494 4.253 20 30 EIEDLP CC(C)(C)CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538395443 1041316267 /nfs/dbraw/zinc/31/62/67/1041316267.db2.gz CAUDWYWPEOZDHY-UHFFFAOYSA-N 2 2 327.516 4.329 20 30 EIEDLP CC(C)(C#N)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554844422 1041442339 /nfs/dbraw/zinc/44/23/39/1041442339.db2.gz WQVJRDXEBFWADY-FCHUYYIVSA-N 2 2 347.506 4.184 20 30 EIEDLP CC(C)(C#N)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554844422 1041442345 /nfs/dbraw/zinc/44/23/45/1041442345.db2.gz WQVJRDXEBFWADY-FCHUYYIVSA-N 2 2 347.506 4.184 20 30 EIEDLP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463234792 1041443248 /nfs/dbraw/zinc/44/32/48/1041443248.db2.gz AUYYAFSKLNIWNF-SFHVURJKSA-N 2 2 339.527 4.471 20 30 EIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609151 1041561511 /nfs/dbraw/zinc/56/15/11/1041561511.db2.gz DKKTWCVJXMNQRC-AVRDEDQJSA-N 2 2 344.462 4.464 20 30 EIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000172037470 1043702514 /nfs/dbraw/zinc/70/25/14/1043702514.db2.gz WTCHXXCCWVDDHU-UHFFFAOYSA-N 2 2 328.431 4.134 20 30 EIEDLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000237403984 1045964125 /nfs/dbraw/zinc/96/41/25/1045964125.db2.gz RXKXHARPCNGXDA-GOSISDBHSA-N 2 2 333.479 4.311 20 30 EIEDLP C[C@@H](CCCC#N)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001172499313 1049922671 /nfs/dbraw/zinc/92/26/71/1049922671.db2.gz RCQGRPBHRAZZAZ-HNNXBMFYSA-N 2 2 334.423 4.076 20 30 EIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000181390780 1050114453 /nfs/dbraw/zinc/11/44/53/1050114453.db2.gz WJKUDTDQENBFIW-HSZRJFAPSA-N 2 2 345.490 4.190 20 30 EIEDLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181849925 1050355143 /nfs/dbraw/zinc/35/51/43/1050355143.db2.gz POGNUHSTPXXTKN-OALUTQOASA-N 2 2 347.506 4.304 20 30 EIEDLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181899236 1050382209 /nfs/dbraw/zinc/38/22/09/1050382209.db2.gz QAWIYBSCLFOECK-UHFFFAOYSA-N 2 2 325.500 4.083 20 30 EIEDLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570142 1050418245 /nfs/dbraw/zinc/41/82/45/1050418245.db2.gz RJQKFMSBFBMEHH-NHCUHLMSSA-N 2 2 344.462 4.316 20 30 EIEDLP C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001178408768 1050464416 /nfs/dbraw/zinc/46/44/16/1050464416.db2.gz GRSQAMWFXOJDAD-KRWDZBQOSA-N 2 2 333.435 4.288 20 30 EIEDLP C[NH+](C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001173593220 1050496483 /nfs/dbraw/zinc/49/64/83/1050496483.db2.gz JFUVDWLLKLRHPK-IKLWRHPWSA-N 2 2 343.559 4.195 20 30 EIEDLP C=CCC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000121380970 1051184869 /nfs/dbraw/zinc/18/48/69/1051184869.db2.gz QGOZUBCATKZRBO-OAQYLSRUSA-N 2 2 327.516 4.056 20 30 EIEDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000776154991 1054743067 /nfs/dbraw/zinc/74/30/67/1054743067.db2.gz FKKGBVDKMUDKKO-MRXNPFEDSA-N 2 2 339.508 4.243 20 30 EIEDLP