smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091334223 1125749536 /nfs/dbraw/zinc/74/95/36/1125749536.db2.gz OTSYECKUAVNGOD-LJQANCHMSA-N 2 2 284.447 3.686 20 30 CHEDLP C=CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000373698132 1127857357 /nfs/dbraw/zinc/85/73/57/1127857357.db2.gz CXDKDCBUTIKPDY-INIZCTEOSA-N 2 2 299.418 3.652 20 30 CHEDLP C=CC(C)(C)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000623592855 1128049850 /nfs/dbraw/zinc/04/98/50/1128049850.db2.gz FGSVHUMQDUUWJK-UHFFFAOYSA-N 2 2 275.421 3.626 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000924534462 1128102601 /nfs/dbraw/zinc/10/26/01/1128102601.db2.gz WVTKETWBCSQZQS-WMZOPIPTSA-N 2 2 299.462 3.741 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779194648 1128784656 /nfs/dbraw/zinc/78/46/56/1128784656.db2.gz WOSXOHHPRFUNBA-GJZGRUSLSA-N 2 2 263.429 3.537 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1CC)C1CC1 ZINC000438986733 1122744939 /nfs/dbraw/zinc/74/49/39/1122744939.db2.gz RIQOJNQXCMZEEC-IAGOWNOFSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1CC)C1CC1 ZINC000438986733 1122744934 /nfs/dbraw/zinc/74/49/34/1122744934.db2.gz RIQOJNQXCMZEEC-IAGOWNOFSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187977263 1123001973 /nfs/dbraw/zinc/00/19/73/1123001973.db2.gz TWKCKMRFSXUKEU-VQTJNVASSA-N 2 2 298.474 3.737 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447530026 1124481238 /nfs/dbraw/zinc/48/12/38/1124481238.db2.gz MZISVXXUAADXMZ-AWEZNQCLSA-N 2 2 276.424 3.588 20 30 CHEDLP CC(C)(C#N)CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571060 1125280563 /nfs/dbraw/zinc/28/05/63/1125280563.db2.gz NBIWSJSBWYOBLL-QGZVFWFLSA-N 2 2 296.418 3.544 20 30 CHEDLP C=CCCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883217242 1125379258 /nfs/dbraw/zinc/37/92/58/1125379258.db2.gz DZEWDNZTJHXNEM-QZTJIDSGSA-N 2 2 295.430 3.885 20 30 CHEDLP CCCCCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746454276 1129664380 /nfs/dbraw/zinc/66/43/80/1129664380.db2.gz SNVKFUGHZPCHCW-OAHLLOKOSA-N 2 2 263.429 3.950 20 30 CHEDLP CCCCCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746454276 1129664383 /nfs/dbraw/zinc/66/43/83/1129664383.db2.gz SNVKFUGHZPCHCW-OAHLLOKOSA-N 2 2 263.429 3.950 20 30 CHEDLP C=CCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258736599 1129682413 /nfs/dbraw/zinc/68/24/13/1129682413.db2.gz XHAMCABBWDNFNE-HNNXBMFYSA-N 2 2 264.457 3.680 20 30 CHEDLP C=CCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258736599 1129682414 /nfs/dbraw/zinc/68/24/14/1129682414.db2.gz XHAMCABBWDNFNE-HNNXBMFYSA-N 2 2 264.457 3.680 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235006035 1130703507 /nfs/dbraw/zinc/70/35/07/1130703507.db2.gz ZYKXCRPABDOVMI-HOTGVXAUSA-N 2 2 252.446 3.563 20 30 CHEDLP CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235006035 1130703513 /nfs/dbraw/zinc/70/35/13/1130703513.db2.gz ZYKXCRPABDOVMI-HOTGVXAUSA-N 2 2 252.446 3.563 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235126085 1130713717 /nfs/dbraw/zinc/71/37/17/1130713717.db2.gz RWIUBCLQMOZZPA-MSOLQXFVSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235126085 1130713719 /nfs/dbraw/zinc/71/37/19/1130713719.db2.gz RWIUBCLQMOZZPA-MSOLQXFVSA-N 2 2 274.452 3.507 20 30 CHEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000845930013 1131671682 /nfs/dbraw/zinc/67/16/82/1131671682.db2.gz WWIBYXHFLPHIMV-BZUAXINKSA-N 2 2 275.440 3.632 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973899 1132117873 /nfs/dbraw/zinc/11/78/73/1132117873.db2.gz AVTRMEKWDXNHFG-QZTJIDSGSA-N 2 2 299.462 3.711 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973899 1132117875 /nfs/dbraw/zinc/11/78/75/1132117875.db2.gz AVTRMEKWDXNHFG-QZTJIDSGSA-N 2 2 299.462 3.711 20 30 CHEDLP C[C@H](CCCC#N)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172491596 1132247032 /nfs/dbraw/zinc/24/70/32/1132247032.db2.gz FNRVNRQGYHIHED-QGZVFWFLSA-N 2 2 299.462 3.665 20 30 CHEDLP C[C@H](CCCC#N)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172491596 1132247035 /nfs/dbraw/zinc/24/70/35/1132247035.db2.gz FNRVNRQGYHIHED-QGZVFWFLSA-N 2 2 299.462 3.665 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC001206777910 1133748955 /nfs/dbraw/zinc/74/89/55/1133748955.db2.gz WSXSUHPIYQNGTQ-JKSUJKDBSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC001206777910 1133748959 /nfs/dbraw/zinc/74/89/59/1133748959.db2.gz WSXSUHPIYQNGTQ-JKSUJKDBSA-N 2 2 252.446 3.585 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222347100 1135229486 /nfs/dbraw/zinc/22/94/86/1135229486.db2.gz WDMWVNWANAYHKX-MSOLQXFVSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222347100 1135229488 /nfs/dbraw/zinc/22/94/88/1135229488.db2.gz WDMWVNWANAYHKX-MSOLQXFVSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000571171630 328090542 /nfs/dbraw/zinc/09/05/42/328090542.db2.gz QUPXFUGMAOYGLQ-UHFFFAOYSA-N 2 2 292.854 3.779 20 30 CHEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000178755381 329202320 /nfs/dbraw/zinc/20/23/20/329202320.db2.gz NAGKQEGJJXUPCX-KRWDZBQOSA-N 2 2 269.392 3.570 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189169152 329377461 /nfs/dbraw/zinc/37/74/61/329377461.db2.gz CVNXEMQTTUQYOY-UYAOXDASSA-N 2 2 298.474 3.638 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189169202 329377854 /nfs/dbraw/zinc/37/78/54/329377854.db2.gz CVNXEMQTTUQYOY-AZUAARDMSA-N 2 2 298.474 3.638 20 30 CHEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000423245612 330181918 /nfs/dbraw/zinc/18/19/18/330181918.db2.gz OYDKAJXGRYHJMT-XBMUEBEBSA-N 2 2 299.462 3.872 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)CCc2ccccc2)CC1 ZINC000527857510 330289038 /nfs/dbraw/zinc/28/90/38/330289038.db2.gz CHEORJXKTIQTQV-GOSISDBHSA-N 2 2 286.463 3.638 20 30 CHEDLP CC1CC[NH+](CC[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433032842 330613341 /nfs/dbraw/zinc/61/33/41/330613341.db2.gz SNLIZKODTLIMSY-LJQANCHMSA-N 2 2 299.462 3.743 20 30 CHEDLP C=CCCCC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000449157143 330902211 /nfs/dbraw/zinc/90/22/11/330902211.db2.gz UODPFVBTPHLIKQ-MRXNPFEDSA-N 2 2 296.499 3.600 20 30 CHEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000328264878 1120169051 /nfs/dbraw/zinc/16/90/51/1120169051.db2.gz MEBGQVIOADMACY-LBPRGKRZSA-N 2 2 299.245 3.599 20 30 CHEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449244336 1124679491 /nfs/dbraw/zinc/67/94/91/1124679491.db2.gz RTRNXGDWTHGNPO-HNNXBMFYSA-N 2 2 293.499 3.947 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(SCC)c2)CC1 ZINC000185523535 1126900633 /nfs/dbraw/zinc/90/06/33/1126900633.db2.gz IBVHLZSEIKFOLW-UHFFFAOYSA-N 2 2 290.476 3.539 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718110976 1127190196 /nfs/dbraw/zinc/19/01/96/1127190196.db2.gz GHJOJXLPBZOWDI-APWZRJJASA-N 2 2 286.463 3.841 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718110976 1127190199 /nfs/dbraw/zinc/19/01/99/1127190199.db2.gz GHJOJXLPBZOWDI-APWZRJJASA-N 2 2 286.463 3.841 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926864766 1128198917 /nfs/dbraw/zinc/19/89/17/1128198917.db2.gz OMRMNTPFKDAOLF-RDJZCZTQSA-N 2 2 296.418 3.542 20 30 CHEDLP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccco1 ZINC000556858998 1128631369 /nfs/dbraw/zinc/63/13/69/1128631369.db2.gz QVMPVFGAJVCRNS-HNNXBMFYSA-N 2 2 273.380 3.553 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258041370 1128677067 /nfs/dbraw/zinc/67/70/67/1128677067.db2.gz SFMXGHYBQNQPIY-CVEARBPZSA-N 2 2 266.473 3.952 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258041370 1128677070 /nfs/dbraw/zinc/67/70/70/1128677070.db2.gz SFMXGHYBQNQPIY-CVEARBPZSA-N 2 2 266.473 3.952 20 30 CHEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258049167 1128689016 /nfs/dbraw/zinc/68/90/16/1128689016.db2.gz AQQXQNCRPNLGEF-BBWFWOEESA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258049167 1128689018 /nfs/dbraw/zinc/68/90/18/1128689018.db2.gz AQQXQNCRPNLGEF-BBWFWOEESA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258049167 1128689020 /nfs/dbraw/zinc/68/90/20/1128689020.db2.gz AQQXQNCRPNLGEF-BBWFWOEESA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258049167 1128689023 /nfs/dbraw/zinc/68/90/23/1128689023.db2.gz AQQXQNCRPNLGEF-BBWFWOEESA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000109940844 1118609649 /nfs/dbraw/zinc/60/96/49/1118609649.db2.gz HOUNQOZTSYVEJU-JKSUJKDBSA-N 2 2 254.462 3.809 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000109940844 1118609650 /nfs/dbraw/zinc/60/96/50/1118609650.db2.gz HOUNQOZTSYVEJU-JKSUJKDBSA-N 2 2 254.462 3.809 20 30 CHEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000328264878 1120169048 /nfs/dbraw/zinc/16/90/48/1120169048.db2.gz MEBGQVIOADMACY-LBPRGKRZSA-N 2 2 299.245 3.599 20 30 CHEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000662086808 1120872765 /nfs/dbraw/zinc/87/27/65/1120872765.db2.gz YWQBXQZLHJCJIJ-HDICACEKSA-N 2 2 279.387 3.555 20 30 CHEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000662086808 1120872770 /nfs/dbraw/zinc/87/27/70/1120872770.db2.gz YWQBXQZLHJCJIJ-HDICACEKSA-N 2 2 279.387 3.555 20 30 CHEDLP CC1CC[NH+](CC[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433032841 1121527558 /nfs/dbraw/zinc/52/75/58/1121527558.db2.gz SNLIZKODTLIMSY-IBGZPJMESA-N 2 2 299.462 3.743 20 30 CHEDLP C=C(C)[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccc(F)c(F)c1 ZINC000514192050 1122386238 /nfs/dbraw/zinc/38/62/38/1122386238.db2.gz FXGPLQNVAHUPMF-QGZVFWFLSA-N 2 2 296.405 3.904 20 30 CHEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC001196058132 1122903270 /nfs/dbraw/zinc/90/32/70/1122903270.db2.gz XJNVFSFZCLZGID-KZNAEPCWSA-N 2 2 278.484 3.974 20 30 CHEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC001196058132 1122903274 /nfs/dbraw/zinc/90/32/74/1122903274.db2.gz XJNVFSFZCLZGID-KZNAEPCWSA-N 2 2 278.484 3.974 20 30 CHEDLP C=CCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110390 1123211634 /nfs/dbraw/zinc/21/16/34/1123211634.db2.gz KIWUGYAGLTWKBV-JYJNAYRXSA-N 2 2 273.424 3.513 20 30 CHEDLP C=CCCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000883223336 1125379992 /nfs/dbraw/zinc/37/99/92/1125379992.db2.gz MZANXVZCNKKGEX-IAGOWNOFSA-N 2 2 295.430 3.954 20 30 CHEDLP C=CCCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000883223335 1125380099 /nfs/dbraw/zinc/38/00/99/1125380099.db2.gz MZANXVZCNKKGEX-DLBZAZTESA-N 2 2 295.430 3.954 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282626282 1129274680 /nfs/dbraw/zinc/27/46/80/1129274680.db2.gz JXPXFLMXMQGITN-CQSZACIVSA-N 2 2 292.854 3.511 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000793556937 1130569829 /nfs/dbraw/zinc/56/98/29/1130569829.db2.gz JAODCRUNHGNWOA-HNNXBMFYSA-N 2 2 252.446 3.585 20 30 CHEDLP CCCCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784496177 1130906884 /nfs/dbraw/zinc/90/68/84/1130906884.db2.gz ROQDSRBIYDZAMD-UHFFFAOYSA-N 2 2 277.437 3.994 20 30 CHEDLP C=CC[NH+](CC=C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236915028 1131031891 /nfs/dbraw/zinc/03/18/91/1131031891.db2.gz YIZRLMQQPWTDAO-UHFFFAOYSA-N 2 2 287.794 3.700 20 30 CHEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000845930016 1131671765 /nfs/dbraw/zinc/67/17/65/1131671765.db2.gz WWIBYXHFLPHIMV-OAGGEKHMSA-N 2 2 275.440 3.632 20 30 CHEDLP N#CCC1CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001173334118 1132464869 /nfs/dbraw/zinc/46/48/69/1132464869.db2.gz UGHLOCAEINUGPA-UHFFFAOYSA-N 2 2 294.402 3.654 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222347101 1135230204 /nfs/dbraw/zinc/23/02/04/1135230204.db2.gz WDMWVNWANAYHKX-QZTJIDSGSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222347101 1135230207 /nfs/dbraw/zinc/23/02/07/1135230207.db2.gz WDMWVNWANAYHKX-QZTJIDSGSA-N 2 2 274.452 3.507 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2ccsc2)CC1 ZINC000187705647 260052229 /nfs/dbraw/zinc/05/22/29/260052229.db2.gz KLFASDOIFAXKKA-MRXNPFEDSA-N 2 2 278.465 3.829 20 30 CHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000559328311 327160400 /nfs/dbraw/zinc/16/04/00/327160400.db2.gz LGRVQNKPHKUYJZ-OALUTQOASA-N 2 2 299.462 3.548 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CC[C@H](C#N)C3)cc2)c1C ZINC000564662009 327248527 /nfs/dbraw/zinc/24/85/27/327248527.db2.gz UYAVNZLNGDNLJD-GOEBONIOSA-N 2 2 280.375 3.593 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000177913519 329189913 /nfs/dbraw/zinc/18/99/13/329189913.db2.gz VWHOXAQHVCBFAI-AWEZNQCLSA-N 2 2 284.403 3.734 20 30 CHEDLP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268771354 330066229 /nfs/dbraw/zinc/06/62/29/330066229.db2.gz PYQDDVNIHGPRMZ-GOSISDBHSA-N 2 2 283.419 3.766 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275615109 330110755 /nfs/dbraw/zinc/11/07/55/330110755.db2.gz RKQXEPVXPUTXRK-HKUYNNGSSA-N 2 2 284.447 3.563 20 30 CHEDLP C=CCC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccco1 ZINC000276507398 330114053 /nfs/dbraw/zinc/11/40/53/330114053.db2.gz YRLZSXHZCTUIPE-INIZCTEOSA-N 2 2 295.386 3.767 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423250072 330182530 /nfs/dbraw/zinc/18/25/30/330182530.db2.gz UMPWQXXFQZJRNL-CVEARBPZSA-N 2 2 270.376 3.577 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000120490944 330388874 /nfs/dbraw/zinc/38/88/74/330388874.db2.gz GLWZOYJXODHYSB-QGZVFWFLSA-N 2 2 299.393 3.846 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194886234 331070554 /nfs/dbraw/zinc/07/05/54/331070554.db2.gz DZWQDPFTVRNYTB-AWEZNQCLSA-N 2 2 290.476 3.710 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474707249 331595153 /nfs/dbraw/zinc/59/51/53/331595153.db2.gz IVMPJRZSAQBJEX-FUHWJXTLSA-N 2 2 278.484 3.831 20 30 CHEDLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CCC#N)n1-c1ccccc1 ZINC000344596971 534738755 /nfs/dbraw/zinc/73/87/55/534738755.db2.gz CCSAJJWWDYUMMU-UHFFFAOYSA-N 2 2 296.418 3.600 20 30 CHEDLP C=CCCCCCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209439543 1118059837 /nfs/dbraw/zinc/05/98/37/1118059837.db2.gz SNADIKARQBPVMR-UHFFFAOYSA-N 2 2 296.499 3.556 20 30 CHEDLP C=CCCCCCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209439543 1118059842 /nfs/dbraw/zinc/05/98/42/1118059842.db2.gz SNADIKARQBPVMR-UHFFFAOYSA-N 2 2 296.499 3.556 20 30 CHEDLP CCCCCCC[C@@H](CC)[NH2+]CCc1[nH+]ccn1C ZINC001172358206 1132186562 /nfs/dbraw/zinc/18/65/62/1132186562.db2.gz OEKMWVZBDQYKFQ-OAHLLOKOSA-N 2 2 265.445 3.691 20 30 CHEDLP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181571317 1126857864 /nfs/dbraw/zinc/85/78/64/1126857864.db2.gz JGYVAXCQKOGGHJ-CVEARBPZSA-N 2 2 299.462 3.547 20 30 CHEDLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602501042 1127583604 /nfs/dbraw/zinc/58/36/04/1127583604.db2.gz CPFHQCLDMFLOES-WMZOPIPTSA-N 2 2 287.451 3.599 20 30 CHEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000374575740 1127904408 /nfs/dbraw/zinc/90/44/08/1127904408.db2.gz MZGRJYGLMJFFTG-JKSUJKDBSA-N 2 2 275.440 3.793 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543306 1119487735 /nfs/dbraw/zinc/48/77/35/1119487735.db2.gz CZBVJZVBPVHICV-QEORTHHSSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543306 1119487737 /nfs/dbraw/zinc/48/77/37/1119487737.db2.gz CZBVJZVBPVHICV-QEORTHHSSA-N 2 2 294.389 3.654 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284131979 1121924134 /nfs/dbraw/zinc/92/41/34/1121924134.db2.gz CYBHSZRZWPPYMM-HXUWFJFHSA-N 2 2 298.474 3.556 20 30 CHEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)(C)C ZINC001196198461 1122910629 /nfs/dbraw/zinc/91/06/29/1122910629.db2.gz MBLQYXOPHRXJSY-UHFFFAOYSA-N 2 2 283.419 3.967 20 30 CHEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)(C)C ZINC001196198461 1122910634 /nfs/dbraw/zinc/91/06/34/1122910634.db2.gz MBLQYXOPHRXJSY-UHFFFAOYSA-N 2 2 283.419 3.967 20 30 CHEDLP CCCCCCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201825987 1123153361 /nfs/dbraw/zinc/15/33/61/1123153361.db2.gz KIYJRHCJNSVGFB-UHFFFAOYSA-N 2 2 254.462 3.763 20 30 CHEDLP CCCCCCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201825987 1123153363 /nfs/dbraw/zinc/15/33/63/1123153363.db2.gz KIYJRHCJNSVGFB-UHFFFAOYSA-N 2 2 254.462 3.763 20 30 CHEDLP C=C(C)CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000509658423 1124503894 /nfs/dbraw/zinc/50/38/94/1124503894.db2.gz QILJKSYRWSKXEE-UHFFFAOYSA-N 2 2 287.451 3.586 20 30 CHEDLP C=C(C)CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000509658423 1124503902 /nfs/dbraw/zinc/50/39/02/1124503902.db2.gz QILJKSYRWSKXEE-UHFFFAOYSA-N 2 2 287.451 3.586 20 30 CHEDLP C=CCCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883217243 1125379299 /nfs/dbraw/zinc/37/92/99/1125379299.db2.gz DZEWDNZTJHXNEM-ROUUACIJSA-N 2 2 295.430 3.885 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532515147 1125409196 /nfs/dbraw/zinc/40/91/96/1125409196.db2.gz BEHHAVOAOCWODP-QGZVFWFLSA-N 2 2 290.838 3.567 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000793541449 1130566197 /nfs/dbraw/zinc/56/61/97/1130566197.db2.gz NIWSQDHGYHFBDY-NVXWUHKLSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000793541449 1130566201 /nfs/dbraw/zinc/56/62/01/1130566201.db2.gz NIWSQDHGYHFBDY-NVXWUHKLSA-N 2 2 264.457 3.585 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235635 1130723764 /nfs/dbraw/zinc/72/37/64/1130723764.db2.gz OTOXLQADHUYHDC-SJORKVTESA-N 2 2 266.473 3.953 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235635 1130723767 /nfs/dbraw/zinc/72/37/67/1130723767.db2.gz OTOXLQADHUYHDC-SJORKVTESA-N 2 2 266.473 3.953 20 30 CHEDLP C=CC[NH2+]CC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948852 1130815180 /nfs/dbraw/zinc/81/51/80/1130815180.db2.gz UBRMHWREWUHZLG-UHFFFAOYSA-N 2 2 294.442 3.507 20 30 CHEDLP C=CC[NH2+]CC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948852 1130815187 /nfs/dbraw/zinc/81/51/87/1130815187.db2.gz UBRMHWREWUHZLG-UHFFFAOYSA-N 2 2 294.442 3.507 20 30 CHEDLP C[NH+](C)CC(C)(C)C[N@H+](CCC#N)C1CCCCCCC1 ZINC001207281892 1133787233 /nfs/dbraw/zinc/78/72/33/1133787233.db2.gz JIIKOJSMSALGBH-UHFFFAOYSA-N 2 2 293.499 3.903 20 30 CHEDLP C[NH+](C)CC(C)(C)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001207281892 1133787241 /nfs/dbraw/zinc/78/72/41/1133787241.db2.gz JIIKOJSMSALGBH-UHFFFAOYSA-N 2 2 293.499 3.903 20 30 CHEDLP CCCCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192062 1135205954 /nfs/dbraw/zinc/20/59/54/1135205954.db2.gz SQACHJWGTFJKKP-MRXNPFEDSA-N 2 2 252.446 3.565 20 30 CHEDLP CCCCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192062 1135205956 /nfs/dbraw/zinc/20/59/56/1135205956.db2.gz SQACHJWGTFJKKP-MRXNPFEDSA-N 2 2 252.446 3.565 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001222287540 1135218834 /nfs/dbraw/zinc/21/88/34/1135218834.db2.gz LURMVGSULQIAEK-GOSISDBHSA-N 2 2 288.479 3.897 20 30 CHEDLP CC(C)(CCC#N)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000174238230 261182102 /nfs/dbraw/zinc/18/21/02/261182102.db2.gz JAKHIUVIEOBJPN-SFHVURJKSA-N 2 2 299.462 3.743 20 30 CHEDLP C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000340446009 263152439 /nfs/dbraw/zinc/15/24/39/263152439.db2.gz MYBODIMZMNOXSF-HHXXYDBFSA-N 2 2 297.446 3.636 20 30 CHEDLP C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000340446009 263152440 /nfs/dbraw/zinc/15/24/40/263152440.db2.gz MYBODIMZMNOXSF-HHXXYDBFSA-N 2 2 297.446 3.636 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000282626280 264506216 /nfs/dbraw/zinc/50/62/16/264506216.db2.gz JXPXFLMXMQGITN-AWEZNQCLSA-N 2 2 292.854 3.511 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000558466069 327096342 /nfs/dbraw/zinc/09/63/42/327096342.db2.gz JOXVDJIRSCHTAB-CGTJXYLNSA-N 2 2 272.436 3.766 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000558466069 327096345 /nfs/dbraw/zinc/09/63/45/327096345.db2.gz JOXVDJIRSCHTAB-CGTJXYLNSA-N 2 2 272.436 3.766 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000177912629 329189901 /nfs/dbraw/zinc/18/99/01/329189901.db2.gz QKMDGFRGROPOFY-QGZVFWFLSA-N 2 2 290.838 3.567 20 30 CHEDLP C=CCCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000287173000 330056655 /nfs/dbraw/zinc/05/66/55/330056655.db2.gz USHWYOUNVIKHGA-UHFFFAOYSA-N 2 2 287.451 3.777 20 30 CHEDLP C=C(C)[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000274756933 330107440 /nfs/dbraw/zinc/10/74/40/330107440.db2.gz JEGUBVKNPWKOOY-KRWDZBQOSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275615120 330110745 /nfs/dbraw/zinc/11/07/45/330110745.db2.gz RKQXEPVXPUTXRK-PKOBYXMFSA-N 2 2 284.447 3.563 20 30 CHEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423362170 330194114 /nfs/dbraw/zinc/19/41/14/330194114.db2.gz AYEPEGBFCRBWLE-CCKFTAQKSA-N 2 2 293.414 3.512 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1CC)C1CC1 ZINC000423506701 330208694 /nfs/dbraw/zinc/20/86/94/330208694.db2.gz PFROEHSLPHMCMO-MSOLQXFVSA-N 2 2 272.436 3.583 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119125525 330371162 /nfs/dbraw/zinc/37/11/62/330371162.db2.gz PXNKEDWUVSOCLM-UHFFFAOYSA-N 2 2 296.817 3.609 20 30 CHEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449244337 330909276 /nfs/dbraw/zinc/90/92/76/330909276.db2.gz RTRNXGDWTHGNPO-OAHLLOKOSA-N 2 2 293.499 3.947 20 30 CHEDLP C=CCCC[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513485343 333022280 /nfs/dbraw/zinc/02/22/80/333022280.db2.gz QVPNGKBIQYGKPT-ZDUSSCGKSA-N 2 2 292.389 3.738 20 30 CHEDLP C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343502887 335205579 /nfs/dbraw/zinc/20/55/79/335205579.db2.gz KYFLZDHVTUBOQX-HOCLYGCPSA-N 2 2 269.392 3.878 20 30 CHEDLP C=CCCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000581707883 336132763 /nfs/dbraw/zinc/13/27/63/336132763.db2.gz GCADFYLDWSEHPG-UHFFFAOYSA-N 2 2 292.389 3.691 20 30 CHEDLP C=CCCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000581707883 336132765 /nfs/dbraw/zinc/13/27/65/336132765.db2.gz GCADFYLDWSEHPG-UHFFFAOYSA-N 2 2 292.389 3.691 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000106245671 526604412 /nfs/dbraw/zinc/60/44/12/526604412.db2.gz VJSOAUGLEHONDN-UHFFFAOYSA-N 2 2 284.856 3.532 20 30 CHEDLP C=CCCCCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209440100 1134020867 /nfs/dbraw/zinc/02/08/67/1134020867.db2.gz AWHZCNFBKRXJJK-UHFFFAOYSA-N 2 2 266.473 3.928 20 30 CHEDLP C=CCCCCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209440100 1134020874 /nfs/dbraw/zinc/02/08/74/1134020874.db2.gz AWHZCNFBKRXJJK-UHFFFAOYSA-N 2 2 266.473 3.928 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183260410 1126884243 /nfs/dbraw/zinc/88/42/43/1126884243.db2.gz DPWXANBOAUOCSI-ZDUSSCGKSA-N 2 2 294.389 3.656 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000602674017 1127602217 /nfs/dbraw/zinc/60/22/17/1127602217.db2.gz DDHHIRLPJULLTH-QGZVFWFLSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000602674017 1127602219 /nfs/dbraw/zinc/60/22/19/1127602219.db2.gz DDHHIRLPJULLTH-QGZVFWFLSA-N 2 2 299.462 3.571 20 30 CHEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258049169 1128688464 /nfs/dbraw/zinc/68/84/64/1128688464.db2.gz AQQXQNCRPNLGEF-ULQDDVLXSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258049169 1128688465 /nfs/dbraw/zinc/68/84/65/1128688465.db2.gz AQQXQNCRPNLGEF-ULQDDVLXSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258049169 1128688466 /nfs/dbraw/zinc/68/84/66/1128688466.db2.gz AQQXQNCRPNLGEF-ULQDDVLXSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258049169 1128688467 /nfs/dbraw/zinc/68/84/67/1128688467.db2.gz AQQXQNCRPNLGEF-ULQDDVLXSA-N 2 2 266.473 3.761 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000178958113 1117898056 /nfs/dbraw/zinc/89/80/56/1117898056.db2.gz CCUVEOQQEXGVDZ-IBGZPJMESA-N 2 2 284.447 3.612 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209441825 1118061016 /nfs/dbraw/zinc/06/10/16/1118061016.db2.gz KOZKDGACWXURGP-DLBZAZTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209441825 1118061020 /nfs/dbraw/zinc/06/10/20/1118061020.db2.gz KOZKDGACWXURGP-DLBZAZTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209441825 1118061025 /nfs/dbraw/zinc/06/10/25/1118061025.db2.gz KOZKDGACWXURGP-DLBZAZTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209441825 1118061031 /nfs/dbraw/zinc/06/10/31/1118061031.db2.gz KOZKDGACWXURGP-DLBZAZTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CC)CC2)CC1 ZINC000657351884 1119019582 /nfs/dbraw/zinc/01/95/82/1119019582.db2.gz AWDVMMYXILAQOD-HOTGVXAUSA-N 2 2 264.457 3.585 20 30 CHEDLP CCCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181392626 1120048301 /nfs/dbraw/zinc/04/83/01/1120048301.db2.gz VSTIDGLRVBKMGZ-UHFFFAOYSA-N 2 2 299.462 3.693 20 30 CHEDLP C=CCC[C@H](CCC)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675742995 1121353636 /nfs/dbraw/zinc/35/36/36/1121353636.db2.gz CJJMICXHEWBPEC-CVEARBPZSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1CC)C1CC1 ZINC000438986737 1122745203 /nfs/dbraw/zinc/74/52/03/1122745203.db2.gz RIQOJNQXCMZEEC-SJORKVTESA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1CC)C1CC1 ZINC000438986737 1122745207 /nfs/dbraw/zinc/74/52/07/1122745207.db2.gz RIQOJNQXCMZEEC-SJORKVTESA-N 2 2 264.457 3.585 20 30 CHEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC001196058131 1122903117 /nfs/dbraw/zinc/90/31/17/1122903117.db2.gz XJNVFSFZCLZGID-KURKYZTESA-N 2 2 278.484 3.974 20 30 CHEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC001196058131 1122903118 /nfs/dbraw/zinc/90/31/18/1122903118.db2.gz XJNVFSFZCLZGID-KURKYZTESA-N 2 2 278.484 3.974 20 30 CHEDLP C=CCCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197264841 1122950649 /nfs/dbraw/zinc/95/06/49/1122950649.db2.gz OIXOTSQWDTYRKP-SFHVURJKSA-N 2 2 283.419 3.960 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024297 1123460004 /nfs/dbraw/zinc/46/00/04/1123460004.db2.gz DSMFTACDWMLWKT-UKBAYJJMSA-N 2 2 299.462 3.710 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024297 1123460006 /nfs/dbraw/zinc/46/00/06/1123460006.db2.gz DSMFTACDWMLWKT-UKBAYJJMSA-N 2 2 299.462 3.710 20 30 CHEDLP C=CCCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000883223338 1125380158 /nfs/dbraw/zinc/38/01/58/1125380158.db2.gz MZANXVZCNKKGEX-SJORKVTESA-N 2 2 295.430 3.954 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000793556938 1130570075 /nfs/dbraw/zinc/57/00/75/1130570075.db2.gz JAODCRUNHGNWOA-OAHLLOKOSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000120113696 267381427 /nfs/dbraw/zinc/38/14/27/267381427.db2.gz POSSDUHNDVETQB-LJQANCHMSA-N 2 2 295.430 3.766 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000558466073 327096388 /nfs/dbraw/zinc/09/63/88/327096388.db2.gz JOXVDJIRSCHTAB-SZMVWBNQSA-N 2 2 272.436 3.766 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000558466073 327096390 /nfs/dbraw/zinc/09/63/90/327096390.db2.gz JOXVDJIRSCHTAB-SZMVWBNQSA-N 2 2 272.436 3.766 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000153002130 327307184 /nfs/dbraw/zinc/30/71/84/327307184.db2.gz ZSRCAPQERIANQH-CYBMUJFWSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CCCC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000536995738 330375335 /nfs/dbraw/zinc/37/53/35/330375335.db2.gz GBUWSGMCJDHFQV-ZACQAIPSSA-N 2 2 264.457 3.678 20 30 CHEDLP C=CCCC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000536995738 330375336 /nfs/dbraw/zinc/37/53/36/330375336.db2.gz GBUWSGMCJDHFQV-ZACQAIPSSA-N 2 2 264.457 3.678 20 30 CHEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000536995738 330375337 /nfs/dbraw/zinc/37/53/37/330375337.db2.gz GBUWSGMCJDHFQV-ZACQAIPSSA-N 2 2 264.457 3.678 20 30 CHEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000536995738 330375338 /nfs/dbraw/zinc/37/53/38/330375338.db2.gz GBUWSGMCJDHFQV-ZACQAIPSSA-N 2 2 264.457 3.678 20 30 CHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471611299 331513306 /nfs/dbraw/zinc/51/33/06/331513306.db2.gz BZAOJQHOIANRAV-CUSZFKRNSA-N 2 2 274.452 3.868 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CC)cc2)CC1 ZINC000177905497 333065568 /nfs/dbraw/zinc/06/55/68/333065568.db2.gz NXQJRKIDWJOMLS-HNNXBMFYSA-N 2 2 272.436 3.550 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccco1 ZINC000476003240 1125731190 /nfs/dbraw/zinc/73/11/90/1125731190.db2.gz NAYGAZBBSQQPDR-INIZCTEOSA-N 2 2 276.424 3.751 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CC=C)CC1 ZINC000793527215 1130563380 /nfs/dbraw/zinc/56/33/80/1130563380.db2.gz OTWZXNLFYPYQET-MRXNPFEDSA-N 2 2 264.457 3.751 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602623405 1127598241 /nfs/dbraw/zinc/59/82/41/1127598241.db2.gz PJSABEKTFQVSNQ-IEBWSBKVSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602623405 1127598243 /nfs/dbraw/zinc/59/82/43/1127598243.db2.gz PJSABEKTFQVSNQ-IEBWSBKVSA-N 2 2 299.462 3.571 20 30 CHEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683497 1117925352 /nfs/dbraw/zinc/92/53/52/1117925352.db2.gz LVFBLJKSVVSJEW-MRXNPFEDSA-N 2 2 290.838 3.526 20 30 CHEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683497 1117925353 /nfs/dbraw/zinc/92/53/53/1117925353.db2.gz LVFBLJKSVVSJEW-MRXNPFEDSA-N 2 2 290.838 3.526 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000236815689 1118923740 /nfs/dbraw/zinc/92/37/40/1118923740.db2.gz GMMZXLVYMOFKTN-UHFFFAOYSA-N 2 2 278.484 3.831 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000695858739 1120531994 /nfs/dbraw/zinc/53/19/94/1120531994.db2.gz JGFLDQZQQWUJKT-AEFFLSMTSA-N 2 2 299.462 3.569 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000695858739 1120531998 /nfs/dbraw/zinc/53/19/98/1120531998.db2.gz JGFLDQZQQWUJKT-AEFFLSMTSA-N 2 2 299.462 3.569 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC001199295882 1123026573 /nfs/dbraw/zinc/02/65/73/1123026573.db2.gz MGCXOKOOQWASHQ-VQHPVUNQSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC001199295882 1123026578 /nfs/dbraw/zinc/02/65/78/1123026578.db2.gz MGCXOKOOQWASHQ-VQHPVUNQSA-N 2 2 264.457 3.584 20 30 CHEDLP CCCCCCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001201840180 1123155092 /nfs/dbraw/zinc/15/50/92/1123155092.db2.gz OEUROLPCVGLOFF-UHFFFAOYSA-N 2 2 251.418 3.566 20 30 CHEDLP CCCCCCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001201840180 1123155094 /nfs/dbraw/zinc/15/50/94/1123155094.db2.gz OEUROLPCVGLOFF-UHFFFAOYSA-N 2 2 251.418 3.566 20 30 CHEDLP C=CCC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388449 1125408144 /nfs/dbraw/zinc/40/81/44/1125408144.db2.gz VLVKYSUXKLAIFK-RDJZCZTQSA-N 2 2 269.392 3.569 20 30 CHEDLP C=CCC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388448 1125408231 /nfs/dbraw/zinc/40/82/31/1125408231.db2.gz VLVKYSUXKLAIFK-NVXWUHKLSA-N 2 2 269.392 3.569 20 30 CHEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCC1 ZINC000792238562 1130439519 /nfs/dbraw/zinc/43/95/19/1130439519.db2.gz XDLIQDUELDXDKV-UHFFFAOYSA-N 2 2 293.414 3.559 20 30 CHEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCC1 ZINC000792238562 1130439526 /nfs/dbraw/zinc/43/95/26/1130439526.db2.gz XDLIQDUELDXDKV-UHFFFAOYSA-N 2 2 293.414 3.559 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000793527190 1130563819 /nfs/dbraw/zinc/56/38/19/1130563819.db2.gz UFGNHOSYGMKFKU-INIZCTEOSA-N 2 2 289.467 3.877 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039155 1130704890 /nfs/dbraw/zinc/70/48/90/1130704890.db2.gz UOXRLWICBJPRET-DLBZAZTESA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039155 1130704894 /nfs/dbraw/zinc/70/48/94/1130704894.db2.gz UOXRLWICBJPRET-DLBZAZTESA-N 2 2 264.457 3.729 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115858 1130711599 /nfs/dbraw/zinc/71/15/99/1130711599.db2.gz SBXFIEOAVOXNFG-GOSISDBHSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115858 1130711603 /nfs/dbraw/zinc/71/16/03/1130711603.db2.gz SBXFIEOAVOXNFG-GOSISDBHSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222697114 1135265504 /nfs/dbraw/zinc/26/55/04/1135265504.db2.gz UPXKUIKRGQASGA-ROUUACIJSA-N 2 2 296.499 3.580 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222697114 1135265507 /nfs/dbraw/zinc/26/55/07/1135265507.db2.gz UPXKUIKRGQASGA-ROUUACIJSA-N 2 2 296.499 3.580 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000179421082 260048229 /nfs/dbraw/zinc/04/82/29/260048229.db2.gz YYEOFEBGHZMNAN-CRAIPNDOSA-N 2 2 284.447 3.783 20 30 CHEDLP C=CCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312808650 260205831 /nfs/dbraw/zinc/20/58/31/260205831.db2.gz RJBQRVGIJQKGGJ-OAHLLOKOSA-N 2 2 269.392 3.879 20 30 CHEDLP C=C(C)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449472207 260630487 /nfs/dbraw/zinc/63/04/87/260630487.db2.gz FFULJOFDNJRJQD-UHFFFAOYSA-N 2 2 292.854 3.860 20 30 CHEDLP C[N@H+](CCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119656047 262169318 /nfs/dbraw/zinc/16/93/18/262169318.db2.gz CTYLEPUTKJZWQO-UHFFFAOYSA-N 2 2 299.462 3.523 20 30 CHEDLP C[N@@H+](CCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119656047 262169320 /nfs/dbraw/zinc/16/93/20/262169320.db2.gz CTYLEPUTKJZWQO-UHFFFAOYSA-N 2 2 299.462 3.523 20 30 CHEDLP CC(C)(C)C[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000111250699 262258034 /nfs/dbraw/zinc/25/80/34/262258034.db2.gz IMVXRTBRUODLBG-UHFFFAOYSA-N 2 2 296.418 3.634 20 30 CHEDLP CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000111250699 262258036 /nfs/dbraw/zinc/25/80/36/262258036.db2.gz IMVXRTBRUODLBG-UHFFFAOYSA-N 2 2 296.418 3.634 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000177313455 329185990 /nfs/dbraw/zinc/18/59/90/329185990.db2.gz ZJZQRWNDSGGEEL-ZDUSSCGKSA-N 2 2 278.827 3.641 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000177909585 329189915 /nfs/dbraw/zinc/18/99/15/329189915.db2.gz YQGQVFKXVKACBP-GFCCVEGCSA-N 2 2 296.817 3.780 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000177914437 329190342 /nfs/dbraw/zinc/19/03/42/329190342.db2.gz GMCGMYWBQAMQOI-HXUWFJFHSA-N 2 2 298.474 3.556 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000177910617 329190392 /nfs/dbraw/zinc/19/03/92/329190392.db2.gz JUPGOBVQZOBEDS-DNVCBOLYSA-N 2 2 284.447 3.865 20 30 CHEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000272878953 330094498 /nfs/dbraw/zinc/09/44/98/330094498.db2.gz NFNDZRCOHNHOCO-CQSZACIVSA-N 2 2 292.854 3.859 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)c1ccco1 ZINC000276458175 330113546 /nfs/dbraw/zinc/11/35/46/330113546.db2.gz NKDMTMXJTZKQTP-KRWDZBQOSA-N 2 2 288.435 3.917 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000278963292 330121051 /nfs/dbraw/zinc/12/10/51/330121051.db2.gz NXBSLLMMXJRQEH-INIZCTEOSA-N 2 2 276.424 3.749 20 30 CHEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423362177 330193947 /nfs/dbraw/zinc/19/39/47/330193947.db2.gz AYEPEGBFCRBWLE-NIKGAXFTSA-N 2 2 293.414 3.512 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000438981310 330731822 /nfs/dbraw/zinc/73/18/22/330731822.db2.gz WRYRJFBPYJKFPC-SFHVURJKSA-N 2 2 281.403 3.707 20 30 CHEDLP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000449253723 330910119 /nfs/dbraw/zinc/91/01/19/330910119.db2.gz ZOVDWWANJPQVQB-IZIZEDOESA-N 2 2 299.462 3.740 20 30 CHEDLP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181571281 1126858051 /nfs/dbraw/zinc/85/80/51/1126858051.db2.gz JGYVAXCQKOGGHJ-HZPDHXFCSA-N 2 2 299.462 3.547 20 30 CHEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949139 1127622541 /nfs/dbraw/zinc/62/25/41/1127622541.db2.gz FJWPRZDMHBNOBY-MRXNPFEDSA-N 2 2 297.446 3.570 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926864765 1128199042 /nfs/dbraw/zinc/19/90/42/1128199042.db2.gz OMRMNTPFKDAOLF-NVXWUHKLSA-N 2 2 296.418 3.542 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000130509261 1128585008 /nfs/dbraw/zinc/58/50/08/1128585008.db2.gz YWCQKJCDPMSSSD-WMZOPIPTSA-N 2 2 272.436 3.768 20 30 CHEDLP C=CCCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209432850 1118054701 /nfs/dbraw/zinc/05/47/01/1118054701.db2.gz KXWOLSZUTXJBPM-INIZCTEOSA-N 2 2 274.408 3.590 20 30 CHEDLP C=CCCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209432850 1118054705 /nfs/dbraw/zinc/05/47/05/1118054705.db2.gz KXWOLSZUTXJBPM-INIZCTEOSA-N 2 2 274.408 3.590 20 30 CHEDLP C=CCCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209432851 1118055128 /nfs/dbraw/zinc/05/51/28/1118055128.db2.gz KXWOLSZUTXJBPM-MRXNPFEDSA-N 2 2 274.408 3.590 20 30 CHEDLP C=CCCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209432851 1118055133 /nfs/dbraw/zinc/05/51/33/1118055133.db2.gz KXWOLSZUTXJBPM-MRXNPFEDSA-N 2 2 274.408 3.590 20 30 CHEDLP C=CCCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000580156158 1118392594 /nfs/dbraw/zinc/39/25/94/1118392594.db2.gz ZPPDGRJLXDFXPW-HNNXBMFYSA-N 2 2 269.392 3.879 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543300 1119487339 /nfs/dbraw/zinc/48/73/39/1119487339.db2.gz CZBVJZVBPVHICV-JDFRZJQESA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543300 1119487343 /nfs/dbraw/zinc/48/73/43/1119487343.db2.gz CZBVJZVBPVHICV-JDFRZJQESA-N 2 2 294.389 3.654 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000439009116 1122745929 /nfs/dbraw/zinc/74/59/29/1122745929.db2.gz XQBDDZBGNCZQMW-INMHGKMJSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)C2CCCC2)CC1 ZINC000449122070 1124651949 /nfs/dbraw/zinc/65/19/49/1124651949.db2.gz KHFWSMSVQFXNEU-KRWDZBQOSA-N 2 2 264.457 3.585 20 30 CHEDLP CC(C)(C#N)CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571059 1125280641 /nfs/dbraw/zinc/28/06/41/1125280641.db2.gz NBIWSJSBWYOBLL-KRWDZBQOSA-N 2 2 296.418 3.544 20 30 CHEDLP C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348233925 1125423983 /nfs/dbraw/zinc/42/39/83/1125423983.db2.gz WIOAIMBNLIIADZ-OAHLLOKOSA-N 2 2 296.418 3.853 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000645407960 1129497435 /nfs/dbraw/zinc/49/74/35/1129497435.db2.gz GZLHGFROLUUORS-KRWDZBQOSA-N 2 2 276.468 3.729 20 30 CHEDLP CCCCCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746454275 1129664735 /nfs/dbraw/zinc/66/47/35/1129664735.db2.gz SNVKFUGHZPCHCW-HNNXBMFYSA-N 2 2 263.429 3.950 20 30 CHEDLP CCCCCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746454275 1129664736 /nfs/dbraw/zinc/66/47/36/1129664736.db2.gz SNVKFUGHZPCHCW-HNNXBMFYSA-N 2 2 263.429 3.950 20 30 CHEDLP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903007030 1130099088 /nfs/dbraw/zinc/09/90/88/1130099088.db2.gz UHMMZZMCJXEUMM-ZOBUZTSGSA-N 2 2 294.402 3.605 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236235618 1130901437 /nfs/dbraw/zinc/90/14/37/1130901437.db2.gz FFFLSEUITJSOBI-AEFFLSMTSA-N 2 2 274.452 3.505 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236235618 1130901438 /nfs/dbraw/zinc/90/14/38/1130901438.db2.gz FFFLSEUITJSOBI-AEFFLSMTSA-N 2 2 274.452 3.505 20 30 CHEDLP C=CCCCCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236520935 1130963597 /nfs/dbraw/zinc/96/35/97/1130963597.db2.gz FGKZTHSPOVRSSU-UHFFFAOYSA-N 2 2 260.425 3.584 20 30 CHEDLP C=CCCCCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236520935 1130963599 /nfs/dbraw/zinc/96/35/99/1130963599.db2.gz FGKZTHSPOVRSSU-UHFFFAOYSA-N 2 2 260.425 3.584 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237142365 1131058426 /nfs/dbraw/zinc/05/84/26/1131058426.db2.gz MRJODUOVWABZJS-SFHVURJKSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237142365 1131058431 /nfs/dbraw/zinc/05/84/31/1131058431.db2.gz MRJODUOVWABZJS-SFHVURJKSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116400982 1131143519 /nfs/dbraw/zinc/14/35/19/1131143519.db2.gz AUIHPCLNMAHQSJ-INIZCTEOSA-N 2 2 277.456 3.645 20 30 CHEDLP CCCCCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116400982 1131143521 /nfs/dbraw/zinc/14/35/21/1131143521.db2.gz AUIHPCLNMAHQSJ-INIZCTEOSA-N 2 2 277.456 3.645 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CC)CCn2cc[nH+]c2)CC1 ZINC001208177828 1133899846 /nfs/dbraw/zinc/89/98/46/1133899846.db2.gz GWLCGEFNVNJCKC-QGZVFWFLSA-N 2 2 273.424 3.508 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)CCn2cc[nH+]c2)CC1 ZINC001208177828 1133899848 /nfs/dbraw/zinc/89/98/48/1133899848.db2.gz GWLCGEFNVNJCKC-QGZVFWFLSA-N 2 2 273.424 3.508 20 30 CHEDLP C=CCCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001209441449 1134023282 /nfs/dbraw/zinc/02/32/82/1134023282.db2.gz WXPVEAIHYNNQTJ-UHFFFAOYSA-N 2 2 261.413 3.657 20 30 CHEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000521430624 262333446 /nfs/dbraw/zinc/33/34/46/262333446.db2.gz VLXWDXRPJIUFIK-IBGZPJMESA-N 2 2 293.414 3.957 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@H+](CCC#N)CC(C)(C)C ZINC000289286425 263108631 /nfs/dbraw/zinc/10/86/31/263108631.db2.gz GRWSSPRNEUPRKK-UHFFFAOYSA-N 2 2 273.424 3.584 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@@H+](CCC#N)CC(C)(C)C ZINC000289286425 263108632 /nfs/dbraw/zinc/10/86/32/263108632.db2.gz GRWSSPRNEUPRKK-UHFFFAOYSA-N 2 2 273.424 3.584 20 30 CHEDLP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296586306 263193808 /nfs/dbraw/zinc/19/38/08/263193808.db2.gz UTBUKZIEFNNPAG-VYDXJSESSA-N 2 2 294.402 3.605 20 30 CHEDLP C=CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000356838664 266184230 /nfs/dbraw/zinc/18/42/30/266184230.db2.gz DNYPXHLHTQIKTC-HNNXBMFYSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccs1 ZINC000356838664 266184233 /nfs/dbraw/zinc/18/42/33/266184233.db2.gz DNYPXHLHTQIKTC-HNNXBMFYSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000356838664 266184234 /nfs/dbraw/zinc/18/42/34/266184234.db2.gz DNYPXHLHTQIKTC-HNNXBMFYSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000356838664 266184236 /nfs/dbraw/zinc/18/42/36/266184236.db2.gz DNYPXHLHTQIKTC-HNNXBMFYSA-N 2 2 278.465 3.611 20 30 CHEDLP C[N@@H+]1CC[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000368060564 327232856 /nfs/dbraw/zinc/23/28/56/327232856.db2.gz ULGSZXBTJICJCC-ROUUACIJSA-N 2 2 299.462 3.741 20 30 CHEDLP C[N@H+]1CC[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000368060564 327232858 /nfs/dbraw/zinc/23/28/58/327232858.db2.gz ULGSZXBTJICJCC-ROUUACIJSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000177907051 329189843 /nfs/dbraw/zinc/18/98/43/329189843.db2.gz MYNRFXDWOMQLCU-GFCCVEGCSA-N 2 2 296.817 3.780 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000178755389 329202399 /nfs/dbraw/zinc/20/23/99/329202399.db2.gz NAGKQEGJJXUPCX-QGZVFWFLSA-N 2 2 269.392 3.570 20 30 CHEDLP CC(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182059390 329239281 /nfs/dbraw/zinc/23/92/81/329239281.db2.gz RUYKLLWAAQQXGS-INIZCTEOSA-N 2 2 299.462 3.547 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000582976571 329297818 /nfs/dbraw/zinc/29/78/18/329297818.db2.gz QRLSPESHHQMOKW-HNNXBMFYSA-N 2 2 264.457 3.585 20 30 CHEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272400024 330085204 /nfs/dbraw/zinc/08/52/04/330085204.db2.gz IYKIDRHIPOILQJ-BJWYYQGGSA-N 2 2 290.838 3.524 20 30 CHEDLP C=C(Cl)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272400024 330085205 /nfs/dbraw/zinc/08/52/05/330085205.db2.gz IYKIDRHIPOILQJ-BJWYYQGGSA-N 2 2 290.838 3.524 20 30 CHEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272400027 330085261 /nfs/dbraw/zinc/08/52/61/330085261.db2.gz IYKIDRHIPOILQJ-OSYLJGHBSA-N 2 2 290.838 3.524 20 30 CHEDLP C=C(Cl)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272400027 330085262 /nfs/dbraw/zinc/08/52/62/330085262.db2.gz IYKIDRHIPOILQJ-OSYLJGHBSA-N 2 2 290.838 3.524 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453098737 331089034 /nfs/dbraw/zinc/08/90/34/331089034.db2.gz KJMSAMSTFCWCID-CZUORRHYSA-N 2 2 290.476 3.927 20 30 CHEDLP C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000489511494 332057693 /nfs/dbraw/zinc/05/76/93/332057693.db2.gz NDIXYQOKWARSQB-QGZVFWFLSA-N 2 2 281.403 3.721 20 30 CHEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000489511494 332057694 /nfs/dbraw/zinc/05/76/94/332057694.db2.gz NDIXYQOKWARSQB-QGZVFWFLSA-N 2 2 281.403 3.721 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248844817 334319594 /nfs/dbraw/zinc/31/95/94/334319594.db2.gz ODIYMQIWIVEITD-BHIYHBOVSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217238 534134450 /nfs/dbraw/zinc/13/44/50/534134450.db2.gz QSMPAZFLTRUMPO-AEFFLSMTSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217238 534134457 /nfs/dbraw/zinc/13/44/57/534134457.db2.gz QSMPAZFLTRUMPO-AEFFLSMTSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccco1 ZINC000353528156 527483672 /nfs/dbraw/zinc/48/36/72/527483672.db2.gz NRCXIJHHFYVARQ-HNNXBMFYSA-N 2 2 285.391 3.774 20 30 CHEDLP CCCCCCCC[C@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC001172502696 1132250931 /nfs/dbraw/zinc/25/09/31/1132250931.db2.gz LJBYXJUKEAPWMB-INIZCTEOSA-N 2 2 254.462 3.667 20 30 CHEDLP CCCCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000158081136 1127436612 /nfs/dbraw/zinc/43/66/12/1127436612.db2.gz GFQKRRJHDZNPJZ-UHFFFAOYSA-N 2 2 263.429 3.881 20 30 CHEDLP C=CCC[C@@H](CCC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360240032 1127493290 /nfs/dbraw/zinc/49/32/90/1127493290.db2.gz SFURXKWHJZMHBK-MRXNPFEDSA-N 2 2 296.499 3.600 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602623424 1127598141 /nfs/dbraw/zinc/59/81/41/1127598141.db2.gz PJSABEKTFQVSNQ-PKOBYXMFSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602623424 1127598143 /nfs/dbraw/zinc/59/81/43/1127598143.db2.gz PJSABEKTFQVSNQ-PKOBYXMFSA-N 2 2 299.462 3.571 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000474711801 1123573931 /nfs/dbraw/zinc/57/39/31/1123573931.db2.gz SFAGOGNTSNCDNU-JKSUJKDBSA-N 2 2 278.484 3.831 20 30 CHEDLP C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000902990487 1130096865 /nfs/dbraw/zinc/09/68/65/1130096865.db2.gz VXEPVFLFBRBPMI-HNNXBMFYSA-N 2 2 296.418 3.853 20 30 CHEDLP C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903108186 1130114896 /nfs/dbraw/zinc/11/48/96/1130114896.db2.gz OHYDLWVOIWBQBQ-HNNXBMFYSA-N 2 2 294.402 3.607 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000793541451 1130566322 /nfs/dbraw/zinc/56/63/22/1130566322.db2.gz NIWSQDHGYHFBDY-WBVHZDCISA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000793541451 1130566328 /nfs/dbraw/zinc/56/63/28/1130566328.db2.gz NIWSQDHGYHFBDY-WBVHZDCISA-N 2 2 264.457 3.585 20 30 CHEDLP CCCCCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116400984 1131142701 /nfs/dbraw/zinc/14/27/01/1131142701.db2.gz AUIHPCLNMAHQSJ-MRXNPFEDSA-N 2 2 277.456 3.645 20 30 CHEDLP CCCCCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116400984 1131142704 /nfs/dbraw/zinc/14/27/04/1131142704.db2.gz AUIHPCLNMAHQSJ-MRXNPFEDSA-N 2 2 277.456 3.645 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205896118 1133627747 /nfs/dbraw/zinc/62/77/47/1133627747.db2.gz VVBDJGHBLYUABT-HZPDHXFCSA-N 2 2 270.436 3.664 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205896118 1133627749 /nfs/dbraw/zinc/62/77/49/1133627749.db2.gz VVBDJGHBLYUABT-HZPDHXFCSA-N 2 2 270.436 3.664 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001222384852 1135234266 /nfs/dbraw/zinc/23/42/66/1135234266.db2.gz ASCMKRIOGJWUHV-RTBURBONSA-N 2 2 288.479 3.897 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001222384852 1135234268 /nfs/dbraw/zinc/23/42/68/1135234268.db2.gz ASCMKRIOGJWUHV-RTBURBONSA-N 2 2 288.479 3.897 20 30 CHEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217240 225012544 /nfs/dbraw/zinc/01/25/44/225012544.db2.gz QSMPAZFLTRUMPO-SJLPKXTDSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217240 225012551 /nfs/dbraw/zinc/01/25/51/225012551.db2.gz QSMPAZFLTRUMPO-SJLPKXTDSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000120904799 263287862 /nfs/dbraw/zinc/28/78/62/263287862.db2.gz PWXJEDSZCSRJNG-MRXNPFEDSA-N 2 2 273.424 3.608 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000177904628 329190008 /nfs/dbraw/zinc/19/00/08/329190008.db2.gz QVDADZMPRCHGHJ-INIZCTEOSA-N 2 2 272.436 3.604 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000177911640 329190334 /nfs/dbraw/zinc/19/03/34/329190334.db2.gz HRXXGPNXPJXYLP-IBGZPJMESA-N 2 2 284.447 3.694 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC=C)CC1)c1ccco1 ZINC000276383769 330113069 /nfs/dbraw/zinc/11/30/69/330113069.db2.gz AAPZSHDEBIZDOG-INIZCTEOSA-N 2 2 274.408 3.527 20 30 CHEDLP CC1(C#N)CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000449104310 330899236 /nfs/dbraw/zinc/89/92/36/330899236.db2.gz VATBBKGXKKPDSZ-UHFFFAOYSA-N 2 2 296.418 3.558 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459396000 331279786 /nfs/dbraw/zinc/27/97/86/331279786.db2.gz DKXNCXUNIMSZOH-UHFFFAOYSA-N 2 2 296.817 3.528 20 30 CHEDLP C=CCCCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513464194 333021295 /nfs/dbraw/zinc/02/12/95/333021295.db2.gz VOWHBJIGICWBFR-MRXNPFEDSA-N 2 2 287.451 3.775 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000177913718 333065561 /nfs/dbraw/zinc/06/55/61/333065561.db2.gz ZPYFKVVMJGNVSF-QGZVFWFLSA-N 2 2 286.463 3.913 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000543403205 333871203 /nfs/dbraw/zinc/87/12/03/333871203.db2.gz QIYAEHYGLZNMMO-HNNXBMFYSA-N 2 2 264.457 3.585 20 30 CHEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000275021019 526073707 /nfs/dbraw/zinc/07/37/07/526073707.db2.gz PTELYIJBUJQAOO-MRXNPFEDSA-N 2 2 297.446 3.570 20 30 CHEDLP CCC(CC)C[N@@H+](CCC#N)CCCc1c[nH+]ccc1C ZINC000347791360 528749848 /nfs/dbraw/zinc/74/98/48/528749848.db2.gz VPWCKHFVMHDMHV-UHFFFAOYSA-N 2 2 287.451 3.975 20 30 CHEDLP CCC(CC)C[N@H+](CCC#N)CCCc1c[nH+]ccc1C ZINC000347791360 528749854 /nfs/dbraw/zinc/74/98/54/528749854.db2.gz VPWCKHFVMHDMHV-UHFFFAOYSA-N 2 2 287.451 3.975 20 30 CHEDLP C=CCCCCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337972 1133692133 /nfs/dbraw/zinc/69/21/33/1133692133.db2.gz XMXUIYHBUSFZQB-INIZCTEOSA-N 2 2 270.436 3.666 20 30 CHEDLP C=CCCCCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337972 1133692135 /nfs/dbraw/zinc/69/21/35/1133692135.db2.gz XMXUIYHBUSFZQB-INIZCTEOSA-N 2 2 270.436 3.666 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000152971474 1126757835 /nfs/dbraw/zinc/75/78/35/1126757835.db2.gz YVUPHBRMFBKXNX-ZDUSSCGKSA-N 2 2 294.389 3.656 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450950 1126906764 /nfs/dbraw/zinc/90/67/64/1126906764.db2.gz CZBVJZVBPVHICV-RVSPLBMKSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450950 1126906767 /nfs/dbraw/zinc/90/67/67/1126906767.db2.gz CZBVJZVBPVHICV-RVSPLBMKSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000485718911 1126946446 /nfs/dbraw/zinc/94/64/46/1126946446.db2.gz KTZNGTLJUVMEGG-UHFFFAOYSA-N 2 2 296.817 3.609 20 30 CHEDLP CCCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000059419550 1127451120 /nfs/dbraw/zinc/45/11/20/1127451120.db2.gz YMFGNYNBFGMQSN-UHFFFAOYSA-N 2 2 275.440 3.610 20 30 CHEDLP CCCCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761117715 1127466460 /nfs/dbraw/zinc/46/64/60/1127466460.db2.gz LYUJWIAUVGBFRU-UHFFFAOYSA-N 2 2 275.440 3.928 20 30 CHEDLP C=CCC[C@H](CCC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360239811 1127493256 /nfs/dbraw/zinc/49/32/56/1127493256.db2.gz SFURXKWHJZMHBK-INIZCTEOSA-N 2 2 296.499 3.600 20 30 CHEDLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602501039 1127583824 /nfs/dbraw/zinc/58/38/24/1127583824.db2.gz CPFHQCLDMFLOES-AEFFLSMTSA-N 2 2 287.451 3.599 20 30 CHEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948601 1127622492 /nfs/dbraw/zinc/62/24/92/1127622492.db2.gz BGHJSIYMERIJQF-MRXNPFEDSA-N 2 2 297.446 3.570 20 30 CHEDLP CCC[C@@H](C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693347 1127661347 /nfs/dbraw/zinc/66/13/47/1127661347.db2.gz VMWFDYRIPAEAAF-MRXNPFEDSA-N 2 2 299.462 3.548 20 30 CHEDLP C=C(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000187773738 1119264284 /nfs/dbraw/zinc/26/42/84/1119264284.db2.gz UBGVSQNANALHOA-RHSMWYFYSA-N 2 2 294.389 3.656 20 30 CHEDLP C=C(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000187773738 1119264288 /nfs/dbraw/zinc/26/42/88/1119264288.db2.gz UBGVSQNANALHOA-RHSMWYFYSA-N 2 2 294.389 3.656 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543303 1119487583 /nfs/dbraw/zinc/48/75/83/1119487583.db2.gz CZBVJZVBPVHICV-MRRJBJDNSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543303 1119487584 /nfs/dbraw/zinc/48/75/84/1119487584.db2.gz CZBVJZVBPVHICV-MRRJBJDNSA-N 2 2 294.389 3.654 20 30 CHEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657836633 1119488369 /nfs/dbraw/zinc/48/83/69/1119488369.db2.gz MPPKJJNPZMOHCX-FUHWJXTLSA-N 2 2 299.462 3.775 20 30 CHEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccco1 ZINC000375840805 1119766582 /nfs/dbraw/zinc/76/65/82/1119766582.db2.gz QGFZXYBMEPJCDL-HZPDHXFCSA-N 2 2 299.418 3.959 20 30 CHEDLP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000584746804 1120433400 /nfs/dbraw/zinc/43/34/00/1120433400.db2.gz NGBSMCBEUCLTKM-CVEARBPZSA-N 2 2 283.419 3.622 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000695858742 1120531848 /nfs/dbraw/zinc/53/18/48/1120531848.db2.gz JGFLDQZQQWUJKT-FUHWJXTLSA-N 2 2 299.462 3.569 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000695858742 1120531851 /nfs/dbraw/zinc/53/18/51/1120531851.db2.gz JGFLDQZQQWUJKT-FUHWJXTLSA-N 2 2 299.462 3.569 20 30 CHEDLP CCCCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000703709542 1121288620 /nfs/dbraw/zinc/28/86/20/1121288620.db2.gz WULMIQKQVORSSG-UHFFFAOYSA-N 2 2 271.408 3.932 20 30 CHEDLP C=CCCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC001175774915 1121463048 /nfs/dbraw/zinc/46/30/48/1121463048.db2.gz NHFUROAAILONSV-GOSISDBHSA-N 2 2 283.419 3.960 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000439009117 1122746394 /nfs/dbraw/zinc/74/63/94/1122746394.db2.gz XQBDDZBGNCZQMW-UXLLHSPISA-N 2 2 264.457 3.584 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000439009117 1122746397 /nfs/dbraw/zinc/74/63/97/1122746397.db2.gz XQBDDZBGNCZQMW-UXLLHSPISA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC001199295880 1123026894 /nfs/dbraw/zinc/02/68/94/1123026894.db2.gz MGCXOKOOQWASHQ-NXOAAHMSSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC001199295880 1123026899 /nfs/dbraw/zinc/02/68/99/1123026899.db2.gz MGCXOKOOQWASHQ-NXOAAHMSSA-N 2 2 264.457 3.584 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000106245752 1123156934 /nfs/dbraw/zinc/15/69/34/1123156934.db2.gz QYWFYFALBQSUQX-WMLDXEAASA-N 2 2 288.435 3.533 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003957 1130702544 /nfs/dbraw/zinc/70/25/44/1130702544.db2.gz OTOXLQADHUYHDC-IRXDYDNUSA-N 2 2 266.473 3.953 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003957 1130702548 /nfs/dbraw/zinc/70/25/48/1130702548.db2.gz OTOXLQADHUYHDC-IRXDYDNUSA-N 2 2 266.473 3.953 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115862 1130711614 /nfs/dbraw/zinc/71/16/14/1130711614.db2.gz SBXFIEOAVOXNFG-SFHVURJKSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115862 1130711617 /nfs/dbraw/zinc/71/16/17/1130711617.db2.gz SBXFIEOAVOXNFG-SFHVURJKSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238103 1130725810 /nfs/dbraw/zinc/72/58/10/1130725810.db2.gz ACEOCNDGHBDBLK-ROUUACIJSA-N 2 2 296.499 3.580 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238103 1130725812 /nfs/dbraw/zinc/72/58/12/1130725812.db2.gz ACEOCNDGHBDBLK-ROUUACIJSA-N 2 2 296.499 3.580 20 30 CHEDLP CCCCCCCCC[C@@H](CCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246300930 1131453099 /nfs/dbraw/zinc/45/30/99/1131453099.db2.gz QKYZGMKOEOIYCY-SJORKVTESA-N 3 2 285.520 3.909 20 30 CHEDLP CCCCCCCCCC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616136 1131719130 /nfs/dbraw/zinc/71/91/30/1131719130.db2.gz YHECSQVRRJOWRP-MRXNPFEDSA-N 2 2 266.473 3.811 20 30 CHEDLP CCCCCCCCC[C@@H](C)[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246666861 1131778932 /nfs/dbraw/zinc/77/89/32/1131778932.db2.gz SHGNRKBBOJVERW-SQNIBIBYSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCCCC[C@@H](C)[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246666861 1131778936 /nfs/dbraw/zinc/77/89/36/1131778936.db2.gz SHGNRKBBOJVERW-SQNIBIBYSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCC[N@H+](CCC#N)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171635994 1132079567 /nfs/dbraw/zinc/07/95/67/1132079567.db2.gz BQBCIECUEGFXLA-UHFFFAOYSA-N 2 2 279.472 3.654 20 30 CHEDLP CCCC[N@@H+](CCC#N)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171635994 1132079571 /nfs/dbraw/zinc/07/95/71/1132079571.db2.gz BQBCIECUEGFXLA-UHFFFAOYSA-N 2 2 279.472 3.654 20 30 CHEDLP CCCCCCC[C@@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001172347737 1132181757 /nfs/dbraw/zinc/18/17/57/1132181757.db2.gz YUJVBJUQKUQWMI-CQSZACIVSA-N 2 2 251.418 3.696 20 30 CHEDLP CCCCCCC[C@H](CC)[NH2+]CCc1[nH+]ccn1C ZINC001172358202 1132187355 /nfs/dbraw/zinc/18/73/55/1132187355.db2.gz OEKMWVZBDQYKFQ-HNNXBMFYSA-N 2 2 265.445 3.691 20 30 CHEDLP CCCCCCCC[C@@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC001172502699 1132251054 /nfs/dbraw/zinc/25/10/54/1132251054.db2.gz LJBYXJUKEAPWMB-MRXNPFEDSA-N 2 2 254.462 3.667 20 30 CHEDLP C=CCCCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209423267 1134014385 /nfs/dbraw/zinc/01/43/85/1134014385.db2.gz KUPWRFPQWCZHIN-UHFFFAOYSA-N 2 2 274.408 3.671 20 30 CHEDLP C=CCC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336834722 335042690 /nfs/dbraw/zinc/04/26/90/335042690.db2.gz SARZZJVNNGEVBI-UHFFFAOYSA-N 2 2 269.392 3.564 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340229999 263098365 /nfs/dbraw/zinc/09/83/65/263098365.db2.gz DUCBBMWKSLCYSC-HNNXBMFYSA-N 2 2 284.447 3.865 20 30 CHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000298581016 263222320 /nfs/dbraw/zinc/22/23/20/263222320.db2.gz QYMGXIRKQKECRE-CQSZACIVSA-N 2 2 296.418 3.674 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425364423 264137656 /nfs/dbraw/zinc/13/76/56/264137656.db2.gz GJSBBBUDFILLIB-INIZCTEOSA-N 2 2 293.414 3.887 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425364423 264137658 /nfs/dbraw/zinc/13/76/58/264137658.db2.gz GJSBBBUDFILLIB-INIZCTEOSA-N 2 2 293.414 3.887 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000120113528 267382023 /nfs/dbraw/zinc/38/20/23/267382023.db2.gz POSSDUHNDVETQB-IBGZPJMESA-N 2 2 295.430 3.766 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064219 328382209 /nfs/dbraw/zinc/38/22/09/328382209.db2.gz KSCSZCCEJCNRNJ-LBPRGKRZSA-N 2 2 296.817 3.780 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000152951104 327300843 /nfs/dbraw/zinc/30/08/43/327300843.db2.gz HIWNLWMEEQPCKE-CYBMUJFWSA-N 2 2 294.389 3.656 20 30 CHEDLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000181574515 329234588 /nfs/dbraw/zinc/23/45/88/329234588.db2.gz LQWUZGDGXQHPMZ-SFHVURJKSA-N 2 2 299.462 3.884 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275615113 330110667 /nfs/dbraw/zinc/11/06/67/330110667.db2.gz RKQXEPVXPUTXRK-IEBWSBKVSA-N 2 2 284.447 3.563 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423250073 330182660 /nfs/dbraw/zinc/18/26/60/330182660.db2.gz UMPWQXXFQZJRNL-HOTGVXAUSA-N 2 2 270.376 3.577 20 30 CHEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999404 330299817 /nfs/dbraw/zinc/29/98/17/330299817.db2.gz HNDZXQQHNYFLQA-OALUTQOASA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999404 330299818 /nfs/dbraw/zinc/29/98/18/330299818.db2.gz HNDZXQQHNYFLQA-OALUTQOASA-N 2 2 297.446 3.616 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482625006 331840803 /nfs/dbraw/zinc/84/08/03/331840803.db2.gz BZULPCPWXKPEBH-INIZCTEOSA-N 2 2 298.474 3.866 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000482628143 331841177 /nfs/dbraw/zinc/84/11/77/331841177.db2.gz JIFNNCDABVEIPF-KBAYOESNSA-N 2 2 278.484 3.687 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)C2CCCCC2)CC1 ZINC000482647170 331842284 /nfs/dbraw/zinc/84/22/84/331842284.db2.gz ABANHPKYWKJJQF-GOSISDBHSA-N 2 2 278.484 3.975 20 30 CHEDLP C=CCCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309748109 333048398 /nfs/dbraw/zinc/04/83/98/333048398.db2.gz VDJQNCCNQYKWIA-SFHVURJKSA-N 2 2 272.436 3.597 20 30 CHEDLP C=CCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309748109 333048399 /nfs/dbraw/zinc/04/83/99/333048399.db2.gz VDJQNCCNQYKWIA-SFHVURJKSA-N 2 2 272.436 3.597 20 30 CHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000564148051 333113207 /nfs/dbraw/zinc/11/32/07/333113207.db2.gz LNLVUHGVSYEDFJ-BBWFWOEESA-N 2 2 274.452 3.697 20 30 CHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000564148051 333113209 /nfs/dbraw/zinc/11/32/09/333113209.db2.gz LNLVUHGVSYEDFJ-BBWFWOEESA-N 2 2 274.452 3.697 20 30 CHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827428 1126903379 /nfs/dbraw/zinc/90/33/79/1126903379.db2.gz AUCZOFNQWWTKMJ-XYJFISCASA-N 2 2 299.462 3.788 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000349449459 1127150943 /nfs/dbraw/zinc/15/09/43/1127150943.db2.gz GCLJPGIBBWPBNC-GOSISDBHSA-N 2 2 288.435 3.669 20 30 CHEDLP CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594520928 1127421703 /nfs/dbraw/zinc/42/17/03/1127421703.db2.gz RQGOVEJYWCUFTB-GBESFXJTSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594520928 1127421706 /nfs/dbraw/zinc/42/17/06/1127421706.db2.gz RQGOVEJYWCUFTB-GBESFXJTSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926864768 1128199104 /nfs/dbraw/zinc/19/91/04/1128199104.db2.gz OMRMNTPFKDAOLF-WBVHZDCISA-N 2 2 296.418 3.542 20 30 CHEDLP CCC[N@H+](CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186941 1128453611 /nfs/dbraw/zinc/45/36/11/1128453611.db2.gz WAXUJJRJFNRQFE-UHFFFAOYSA-N 2 2 299.462 3.667 20 30 CHEDLP CCC[N@@H+](CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186941 1128453614 /nfs/dbraw/zinc/45/36/14/1128453614.db2.gz WAXUJJRJFNRQFE-UHFFFAOYSA-N 2 2 299.462 3.667 20 30 CHEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258049170 1128688568 /nfs/dbraw/zinc/68/85/68/1128688568.db2.gz AQQXQNCRPNLGEF-YESZJQIVSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258049170 1128688571 /nfs/dbraw/zinc/68/85/71/1128688571.db2.gz AQQXQNCRPNLGEF-YESZJQIVSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258049170 1128688573 /nfs/dbraw/zinc/68/85/73/1128688573.db2.gz AQQXQNCRPNLGEF-YESZJQIVSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258049170 1128688576 /nfs/dbraw/zinc/68/85/76/1128688576.db2.gz AQQXQNCRPNLGEF-YESZJQIVSA-N 2 2 266.473 3.761 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CC)CC2)CC1 ZINC000657351886 1119020343 /nfs/dbraw/zinc/02/03/43/1119020343.db2.gz AWDVMMYXILAQOD-HZPDHXFCSA-N 2 2 264.457 3.585 20 30 CHEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000328264877 1120169096 /nfs/dbraw/zinc/16/90/96/1120169096.db2.gz MEBGQVIOADMACY-GFCCVEGCSA-N 2 2 299.245 3.599 20 30 CHEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000328264877 1120169098 /nfs/dbraw/zinc/16/90/98/1120169098.db2.gz MEBGQVIOADMACY-GFCCVEGCSA-N 2 2 299.245 3.599 20 30 CHEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924527 1121383938 /nfs/dbraw/zinc/38/39/38/1121383938.db2.gz YUPONOVETRDLMV-LZLYRXPVSA-N 2 2 297.446 3.894 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000439091908 1122753058 /nfs/dbraw/zinc/75/30/58/1122753058.db2.gz XJSMQNMLKSJNAB-INMHGKMJSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000439091908 1122753063 /nfs/dbraw/zinc/75/30/63/1122753063.db2.gz XJSMQNMLKSJNAB-INMHGKMJSA-N 2 2 264.457 3.584 20 30 CHEDLP CCCCCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201761449 1123147493 /nfs/dbraw/zinc/14/74/93/1123147493.db2.gz FRMFVVUCTXEAHZ-UHFFFAOYSA-N 2 2 276.424 3.895 20 30 CHEDLP CCCCCCCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201846310 1123156116 /nfs/dbraw/zinc/15/61/16/1123156116.db2.gz HOKPSEWQQHFCCS-UHFFFAOYSA-N 2 2 298.515 3.780 20 30 CHEDLP CCCCCCCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201846310 1123156117 /nfs/dbraw/zinc/15/61/17/1123156117.db2.gz HOKPSEWQQHFCCS-UHFFFAOYSA-N 2 2 298.515 3.780 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000106245743 1123156849 /nfs/dbraw/zinc/15/68/49/1123156849.db2.gz QYWFYFALBQSUQX-YOEHRIQHSA-N 2 2 288.435 3.533 20 30 CHEDLP C=CCCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000880389442 1125271347 /nfs/dbraw/zinc/27/13/47/1125271347.db2.gz URHFYSGRQPZWIO-QGZVFWFLSA-N 2 2 269.392 3.570 20 30 CHEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000651700034 1129744415 /nfs/dbraw/zinc/74/44/15/1129744415.db2.gz QLBBLCOZFAKKMZ-HZPDHXFCSA-N 2 2 273.424 3.608 20 30 CHEDLP CC(C)[Si](C#C[N@H+](C)C(C)(C)C[NH3+])(C(C)C)C(C)C ZINC001170055916 1130085356 /nfs/dbraw/zinc/08/53/56/1130085356.db2.gz NPHCXAYWQWIQBT-UHFFFAOYSA-N 2 2 282.548 3.834 20 30 CHEDLP CC(C)[Si](C#C[N@@H+](C)C(C)(C)C[NH3+])(C(C)C)C(C)C ZINC001170055916 1130085362 /nfs/dbraw/zinc/08/53/62/1130085362.db2.gz NPHCXAYWQWIQBT-UHFFFAOYSA-N 2 2 282.548 3.834 20 30 CHEDLP C=CC[NH2+]CC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236190302 1130883739 /nfs/dbraw/zinc/88/37/39/1130883739.db2.gz UEBJYDARCDLFDM-OAHLLOKOSA-N 2 2 268.404 3.608 20 30 CHEDLP C=CC[NH2+]CC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236190302 1130883743 /nfs/dbraw/zinc/88/37/43/1130883743.db2.gz UEBJYDARCDLFDM-OAHLLOKOSA-N 2 2 268.404 3.608 20 30 CHEDLP C=CCCCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236390682 1130925598 /nfs/dbraw/zinc/92/55/98/1130925598.db2.gz ZFGKDGKRZWLPLZ-GOSISDBHSA-N 2 2 290.426 3.736 20 30 CHEDLP C=CCCCC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236390682 1130925600 /nfs/dbraw/zinc/92/56/00/1130925600.db2.gz ZFGKDGKRZWLPLZ-GOSISDBHSA-N 2 2 290.426 3.736 20 30 CHEDLP C=CCCCC[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236392706 1130926613 /nfs/dbraw/zinc/92/66/13/1130926613.db2.gz JJWQDWJUFZYYKR-SFHVURJKSA-N 2 2 290.426 3.736 20 30 CHEDLP C=CCCCC[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236392706 1130926617 /nfs/dbraw/zinc/92/66/17/1130926617.db2.gz JJWQDWJUFZYYKR-SFHVURJKSA-N 2 2 290.426 3.736 20 30 CHEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000815651722 1131018553 /nfs/dbraw/zinc/01/85/53/1131018553.db2.gz BFRWZUWXPFEFHQ-MRXNPFEDSA-N 2 2 296.414 3.552 20 30 CHEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000815651722 1131018558 /nfs/dbraw/zinc/01/85/58/1131018558.db2.gz BFRWZUWXPFEFHQ-MRXNPFEDSA-N 2 2 296.414 3.552 20 30 CHEDLP CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246629792 1131735590 /nfs/dbraw/zinc/73/55/90/1131735590.db2.gz JVDGIDVQWKRKAN-SQNIBIBYSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246629792 1131735596 /nfs/dbraw/zinc/73/55/96/1131735596.db2.gz JVDGIDVQWKRKAN-SQNIBIBYSA-N 2 2 296.499 3.578 20 30 CHEDLP CC1(C#N)CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001173592756 1132498439 /nfs/dbraw/zinc/49/84/39/1132498439.db2.gz AZVOSHPYXNPTQD-UHFFFAOYSA-N 2 2 294.402 3.654 20 30 CHEDLP C=CCCCCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337973 1133691755 /nfs/dbraw/zinc/69/17/55/1133691755.db2.gz XMXUIYHBUSFZQB-MRXNPFEDSA-N 2 2 270.436 3.666 20 30 CHEDLP C=CCCCCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337973 1133691758 /nfs/dbraw/zinc/69/17/58/1133691758.db2.gz XMXUIYHBUSFZQB-MRXNPFEDSA-N 2 2 270.436 3.666 20 30 CHEDLP CC(C)(CCC#N)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000174238247 261181871 /nfs/dbraw/zinc/18/18/71/261181871.db2.gz JAKHIUVIEOBJPN-GOSISDBHSA-N 2 2 299.462 3.743 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000367635149 267105647 /nfs/dbraw/zinc/10/56/47/267105647.db2.gz KJKFJRDDBAADNB-OFLPRAFFSA-N 2 2 288.435 3.893 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000582976573 329297839 /nfs/dbraw/zinc/29/78/39/329297839.db2.gz QRLSPESHHQMOKW-OAHLLOKOSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064198 328382271 /nfs/dbraw/zinc/38/22/71/328382271.db2.gz KSCSZCCEJCNRNJ-GFCCVEGCSA-N 2 2 296.817 3.780 20 30 CHEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000272878951 330087265 /nfs/dbraw/zinc/08/72/65/330087265.db2.gz NFNDZRCOHNHOCO-AWEZNQCLSA-N 2 2 292.854 3.859 20 30 CHEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945273 330294169 /nfs/dbraw/zinc/29/41/69/330294169.db2.gz FKKDVBUYOULOHV-KXBFYZLASA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945273 330294170 /nfs/dbraw/zinc/29/41/70/330294170.db2.gz FKKDVBUYOULOHV-KXBFYZLASA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCCCC[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000449220425 330907099 /nfs/dbraw/zinc/90/70/99/330907099.db2.gz QENAGUAMYMQUOE-HNNXBMFYSA-N 2 2 271.408 3.601 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C2CCCCC2)CC1 ZINC000177913977 333065423 /nfs/dbraw/zinc/06/54/23/333065423.db2.gz UXAVWYGRXODZNF-QGZVFWFLSA-N 2 2 264.457 3.585 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185754567 333148091 /nfs/dbraw/zinc/14/80/91/333148091.db2.gz ODIYMQIWIVEITD-QXAKKESOSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000275021017 526066894 /nfs/dbraw/zinc/06/68/94/526066894.db2.gz PTELYIJBUJQAOO-INIZCTEOSA-N 2 2 297.446 3.570 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000106245794 526602436 /nfs/dbraw/zinc/60/24/36/526602436.db2.gz NBCCSVKDDQORFD-UHFFFAOYSA-N 2 2 284.403 3.563 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000286379641 1127267180 /nfs/dbraw/zinc/26/71/80/1127267180.db2.gz ZZDPLSLYUASRIA-KRWDZBQOSA-N 2 2 288.435 3.751 20 30 CHEDLP CC(C)(C)CC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701036 1127662668 /nfs/dbraw/zinc/66/26/68/1127662668.db2.gz BMVIHUDCZJSKCK-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP CCCCCCC/C=C/C[N@H+](C)C1CC[NH+](C)CC1 ZINC001208119934 1117799886 /nfs/dbraw/zinc/79/98/86/1117799886.db2.gz JDHHBBYYBADWBM-ZHACJKMWSA-N 2 2 266.473 3.929 20 30 CHEDLP CCCCCCC/C=C/C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001208119934 1117799888 /nfs/dbraw/zinc/79/98/88/1117799888.db2.gz JDHHBBYYBADWBM-ZHACJKMWSA-N 2 2 266.473 3.929 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390958888 1121136755 /nfs/dbraw/zinc/13/67/55/1121136755.db2.gz LFVNFTRGUILZNL-MSOLQXFVSA-N 2 2 299.462 3.569 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390958888 1121136758 /nfs/dbraw/zinc/13/67/58/1121136758.db2.gz LFVNFTRGUILZNL-MSOLQXFVSA-N 2 2 299.462 3.569 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000153002033 1129016165 /nfs/dbraw/zinc/01/61/65/1129016165.db2.gz ZSRCAPQERIANQH-ZDUSSCGKSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150916 1125123694 /nfs/dbraw/zinc/12/36/94/1125123694.db2.gz QOPDNQIOFKBHGT-INIZCTEOSA-N 2 2 287.451 3.585 20 30 CHEDLP C=CC[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150916 1125123695 /nfs/dbraw/zinc/12/36/95/1125123695.db2.gz QOPDNQIOFKBHGT-INIZCTEOSA-N 2 2 287.451 3.585 20 30 CHEDLP C=CCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568994 1125280665 /nfs/dbraw/zinc/28/06/65/1125280665.db2.gz GIAZIZMNSCUFMP-KRWDZBQOSA-N 2 2 269.392 3.570 20 30 CHEDLP C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348233924 1125423680 /nfs/dbraw/zinc/42/36/80/1125423680.db2.gz WIOAIMBNLIIADZ-HNNXBMFYSA-N 2 2 296.418 3.853 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000793541450 1130567066 /nfs/dbraw/zinc/56/70/66/1130567066.db2.gz NIWSQDHGYHFBDY-RDJZCZTQSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000793541450 1130567071 /nfs/dbraw/zinc/56/70/71/1130567071.db2.gz NIWSQDHGYHFBDY-RDJZCZTQSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073663 1130708218 /nfs/dbraw/zinc/70/82/18/1130708218.db2.gz UOXRLWICBJPRET-IAGOWNOFSA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073663 1130708223 /nfs/dbraw/zinc/70/82/23/1130708223.db2.gz UOXRLWICBJPRET-IAGOWNOFSA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCCCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001209438159 1134019498 /nfs/dbraw/zinc/01/94/98/1134019498.db2.gz AJXDVFYMCGUOCN-UHFFFAOYSA-N 2 2 266.473 3.929 20 30 CHEDLP C=CCCCCCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001209438159 1134019504 /nfs/dbraw/zinc/01/95/04/1134019504.db2.gz AJXDVFYMCGUOCN-UHFFFAOYSA-N 2 2 266.473 3.929 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000179421088 260047817 /nfs/dbraw/zinc/04/78/17/260047817.db2.gz YYEOFEBGHZMNAN-MAUKXSAKSA-N 2 2 284.447 3.783 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(F)c2)CC1 ZINC000187977405 260069005 /nfs/dbraw/zinc/06/90/05/260069005.db2.gz XODGLDCIKOAMFZ-KRWDZBQOSA-N 2 2 276.399 3.517 20 30 CHEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000521430625 262333434 /nfs/dbraw/zinc/33/34/34/262333434.db2.gz VLXWDXRPJIUFIK-LJQANCHMSA-N 2 2 293.414 3.957 20 30 CHEDLP C=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935264 263139341 /nfs/dbraw/zinc/13/93/41/263139341.db2.gz FPQBUSGZSXGKML-KDOFPFPSSA-N 2 2 268.404 3.784 20 30 CHEDLP C=C(CC)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000361347762 328919502 /nfs/dbraw/zinc/91/95/02/328919502.db2.gz YQUQSHHVBKMGAJ-UHFFFAOYSA-N 2 2 283.419 3.948 20 30 CHEDLP C=C(Cl)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000271462191 330080167 /nfs/dbraw/zinc/08/01/67/330080167.db2.gz HTZYJVWHPOOSTO-LBPRGKRZSA-N 2 2 275.783 3.584 20 30 CHEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423250074 330182568 /nfs/dbraw/zinc/18/25/68/330182568.db2.gz UMPWQXXFQZJRNL-HZPDHXFCSA-N 2 2 270.376 3.577 20 30 CHEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953367 330294675 /nfs/dbraw/zinc/29/46/75/330294675.db2.gz WSFVRTXVRIQRLN-HNAYVOBHSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953367 330294676 /nfs/dbraw/zinc/29/46/76/330294676.db2.gz WSFVRTXVRIQRLN-HNAYVOBHSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999401 330299713 /nfs/dbraw/zinc/29/97/13/330299713.db2.gz HNDZXQQHNYFLQA-MOPGFXCFSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999401 330299714 /nfs/dbraw/zinc/29/97/14/330299714.db2.gz HNDZXQQHNYFLQA-MOPGFXCFSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999410 330299850 /nfs/dbraw/zinc/29/98/50/330299850.db2.gz HNDZXQQHNYFLQA-RTBURBONSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999410 330299851 /nfs/dbraw/zinc/29/98/51/330299851.db2.gz HNDZXQQHNYFLQA-RTBURBONSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000488440310 332008643 /nfs/dbraw/zinc/00/86/43/332008643.db2.gz PSIDOWQQNDHBIJ-SJORKVTESA-N 2 2 264.457 3.680 20 30 CHEDLP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000488440310 332008644 /nfs/dbraw/zinc/00/86/44/332008644.db2.gz PSIDOWQQNDHBIJ-SJORKVTESA-N 2 2 264.457 3.680 20 30 CHEDLP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000488440310 332008646 /nfs/dbraw/zinc/00/86/46/332008646.db2.gz PSIDOWQQNDHBIJ-SJORKVTESA-N 2 2 264.457 3.680 20 30 CHEDLP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000488440310 332008648 /nfs/dbraw/zinc/00/86/48/332008648.db2.gz PSIDOWQQNDHBIJ-SJORKVTESA-N 2 2 264.457 3.680 20 30 CHEDLP C=CCCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309748107 333048290 /nfs/dbraw/zinc/04/82/90/333048290.db2.gz VDJQNCCNQYKWIA-GOSISDBHSA-N 2 2 272.436 3.597 20 30 CHEDLP C=CCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309748107 333048291 /nfs/dbraw/zinc/04/82/91/333048291.db2.gz VDJQNCCNQYKWIA-GOSISDBHSA-N 2 2 272.436 3.597 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000177911068 333065454 /nfs/dbraw/zinc/06/54/54/333065454.db2.gz HOTUBWNFQOUBSA-GOSISDBHSA-N 2 2 284.447 3.649 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185754609 333148004 /nfs/dbraw/zinc/14/80/04/333148004.db2.gz ODIYMQIWIVEITD-YTQUADARSA-N 2 2 299.462 3.741 20 30 CHEDLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000248819045 334318120 /nfs/dbraw/zinc/31/81/20/334318120.db2.gz LEBCIPJIOGYQHK-QRQLOZEOSA-N 2 2 299.462 3.524 20 30 CHEDLP C=CCC[C@@H](CC)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050557 334356387 /nfs/dbraw/zinc/35/63/87/334356387.db2.gz SIXKLQAECYMJJK-OAHLLOKOSA-N 2 2 285.435 3.840 20 30 CHEDLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000352296499 534228560 /nfs/dbraw/zinc/22/85/60/534228560.db2.gz FEQIWWMSYRVKFV-BBWFWOEESA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000352296499 534228564 /nfs/dbraw/zinc/22/85/64/534228564.db2.gz FEQIWWMSYRVKFV-BBWFWOEESA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000352296499 534228568 /nfs/dbraw/zinc/22/85/68/534228568.db2.gz FEQIWWMSYRVKFV-BBWFWOEESA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000352296499 534228570 /nfs/dbraw/zinc/22/85/70/534228570.db2.gz FEQIWWMSYRVKFV-BBWFWOEESA-N 2 2 291.483 3.654 20 30 CHEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]c3ccccc3cc2C)CC1 ZINC000301741071 526607007 /nfs/dbraw/zinc/60/70/07/526607007.db2.gz XWGYFPLWGOPNFG-UHFFFAOYSA-N 2 2 295.430 3.996 20 30 CHEDLP C=CCCCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209439277 1134020430 /nfs/dbraw/zinc/02/04/30/1134020430.db2.gz LUESVEGHLFPWCG-QGZVFWFLSA-N 2 2 264.457 3.683 20 30 CHEDLP C=CCCCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209439277 1134020435 /nfs/dbraw/zinc/02/04/35/1134020435.db2.gz LUESVEGHLFPWCG-QGZVFWFLSA-N 2 2 264.457 3.683 20 30 CHEDLP C=CCCCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209439277 1134020443 /nfs/dbraw/zinc/02/04/43/1134020443.db2.gz LUESVEGHLFPWCG-QGZVFWFLSA-N 2 2 264.457 3.683 20 30 CHEDLP C=CCCCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209439277 1134020448 /nfs/dbraw/zinc/02/04/48/1134020448.db2.gz LUESVEGHLFPWCG-QGZVFWFLSA-N 2 2 264.457 3.683 20 30 CHEDLP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181571297 1126857641 /nfs/dbraw/zinc/85/76/41/1126857641.db2.gz JGYVAXCQKOGGHJ-JKSUJKDBSA-N 2 2 299.462 3.547 20 30 CHEDLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594520929 1127421946 /nfs/dbraw/zinc/42/19/46/1127421946.db2.gz RQGOVEJYWCUFTB-IPMKNSEASA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594520929 1127421947 /nfs/dbraw/zinc/42/19/47/1127421947.db2.gz RQGOVEJYWCUFTB-IPMKNSEASA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@@H](C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594968536 1127441451 /nfs/dbraw/zinc/44/14/51/1127441451.db2.gz RMYZSMWXXOYQJK-MRXNPFEDSA-N 2 2 299.462 3.548 20 30 CHEDLP CCCCCCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258052645 1128702980 /nfs/dbraw/zinc/70/29/80/1128702980.db2.gz QWAHKBAGLSZWDM-GVDBMIGSSA-N 2 2 284.488 3.612 20 30 CHEDLP C=CCCCCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001209436053 1118056968 /nfs/dbraw/zinc/05/69/68/1118056968.db2.gz NHEWVIRFIZEOBC-UHFFFAOYSA-N 2 2 252.446 3.539 20 30 CHEDLP C=CCCCCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001209436053 1118056963 /nfs/dbraw/zinc/05/69/63/1118056963.db2.gz NHEWVIRFIZEOBC-UHFFFAOYSA-N 2 2 252.446 3.539 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779194649 1128784851 /nfs/dbraw/zinc/78/48/51/1128784851.db2.gz WOSXOHHPRFUNBA-HUUCEWRRSA-N 2 2 263.429 3.537 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000109940838 1118609602 /nfs/dbraw/zinc/60/96/02/1118609602.db2.gz HOUNQOZTSYVEJU-HOTGVXAUSA-N 2 2 254.462 3.809 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000109940838 1118609603 /nfs/dbraw/zinc/60/96/03/1118609603.db2.gz HOUNQOZTSYVEJU-HOTGVXAUSA-N 2 2 254.462 3.809 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543299 1119487761 /nfs/dbraw/zinc/48/77/61/1119487761.db2.gz CZBVJZVBPVHICV-IFIJOSMWSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000248543299 1119487762 /nfs/dbraw/zinc/48/77/62/1119487762.db2.gz CZBVJZVBPVHICV-IFIJOSMWSA-N 2 2 294.389 3.654 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccco1 ZINC000375840803 1119766508 /nfs/dbraw/zinc/76/65/08/1119766508.db2.gz QGFZXYBMEPJCDL-CVEARBPZSA-N 2 2 299.418 3.959 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000695858743 1120531504 /nfs/dbraw/zinc/53/15/04/1120531504.db2.gz JGFLDQZQQWUJKT-SJLPKXTDSA-N 2 2 299.462 3.569 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000695858743 1120531506 /nfs/dbraw/zinc/53/15/06/1120531506.db2.gz JGFLDQZQQWUJKT-SJLPKXTDSA-N 2 2 299.462 3.569 20 30 CHEDLP C=CCC[C@H](CCC)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000675742996 1121353907 /nfs/dbraw/zinc/35/39/07/1121353907.db2.gz CJJMICXHEWBPEC-HOTGVXAUSA-N 2 2 252.446 3.585 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000924985692 1122418754 /nfs/dbraw/zinc/41/87/54/1122418754.db2.gz IUEOKKNLHDZBBE-LJQANCHMSA-N 2 2 299.462 3.553 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000439091910 1122752364 /nfs/dbraw/zinc/75/23/64/1122752364.db2.gz XJSMQNMLKSJNAB-VYDXJSESSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000439091910 1122752366 /nfs/dbraw/zinc/75/23/66/1122752366.db2.gz XJSMQNMLKSJNAB-VYDXJSESSA-N 2 2 264.457 3.584 20 30 CHEDLP CC[C@H](CC#N)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168024295 1123459964 /nfs/dbraw/zinc/45/99/64/1123459964.db2.gz DSMFTACDWMLWKT-JFIYKMOQSA-N 2 2 299.462 3.710 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227693 1123851453 /nfs/dbraw/zinc/85/14/53/1123851453.db2.gz FWFCSASVSPCQBA-SJLPKXTDSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897227693 1123851458 /nfs/dbraw/zinc/85/14/58/1123851458.db2.gz FWFCSASVSPCQBA-SJLPKXTDSA-N 2 2 296.499 3.578 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000120564324 1123987114 /nfs/dbraw/zinc/98/71/14/1123987114.db2.gz ZKWIBIRXOYIHES-SFHVURJKSA-N 2 2 281.403 3.707 20 30 CHEDLP C=CC[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150917 1125123329 /nfs/dbraw/zinc/12/33/29/1125123329.db2.gz QOPDNQIOFKBHGT-MRXNPFEDSA-N 2 2 287.451 3.585 20 30 CHEDLP C=CC[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150917 1125123331 /nfs/dbraw/zinc/12/33/31/1125123331.db2.gz QOPDNQIOFKBHGT-MRXNPFEDSA-N 2 2 287.451 3.585 20 30 CHEDLP C=CCC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388450 1125408380 /nfs/dbraw/zinc/40/83/80/1125408380.db2.gz VLVKYSUXKLAIFK-WBVHZDCISA-N 2 2 269.392 3.569 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000651700032 1129744258 /nfs/dbraw/zinc/74/42/58/1129744258.db2.gz QLBBLCOZFAKKMZ-CVEARBPZSA-N 2 2 273.424 3.608 20 30 CHEDLP C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903089179 1130110713 /nfs/dbraw/zinc/11/07/13/1130110713.db2.gz WKOOFJHOUIMIJQ-JFIYKMOQSA-N 2 2 293.414 3.715 20 30 CHEDLP C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903108592 1130114780 /nfs/dbraw/zinc/11/47/80/1130114780.db2.gz DXQHLICPYKWNEW-OAHLLOKOSA-N 2 2 294.402 3.607 20 30 CHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000792231823 1130439070 /nfs/dbraw/zinc/43/90/70/1130439070.db2.gz PHJVTBDQGLGJJA-UHFFFAOYSA-N 2 2 296.418 3.552 20 30 CHEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCC#N)CC(C)C ZINC000792231823 1130439075 /nfs/dbraw/zinc/43/90/75/1130439075.db2.gz PHJVTBDQGLGJJA-UHFFFAOYSA-N 2 2 296.418 3.552 20 30 CHEDLP C#Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001144581007 1131660710 /nfs/dbraw/zinc/66/07/10/1131660710.db2.gz KFGZLLJLRDWIQG-UHFFFAOYSA-N 2 2 296.458 3.507 20 30 CHEDLP C#Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001144581007 1131660713 /nfs/dbraw/zinc/66/07/13/1131660713.db2.gz KFGZLLJLRDWIQG-UHFFFAOYSA-N 2 2 296.458 3.507 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000276421264 330113240 /nfs/dbraw/zinc/11/32/40/330113240.db2.gz HLTVTPUKSXSVMU-MRXNPFEDSA-N 2 2 274.408 3.503 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000276421263 330113632 /nfs/dbraw/zinc/11/36/32/330113632.db2.gz HLTVTPUKSXSVMU-INIZCTEOSA-N 2 2 274.408 3.503 20 30 CHEDLP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000527738851 330282541 /nfs/dbraw/zinc/28/25/41/330282541.db2.gz XYKLUFNYCYHVLL-UHFFFAOYSA-N 2 2 292.389 3.595 20 30 CHEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953366 330294555 /nfs/dbraw/zinc/29/45/55/330294555.db2.gz WSFVRTXVRIQRLN-DNVCBOLYSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953366 330294556 /nfs/dbraw/zinc/29/45/56/330294556.db2.gz WSFVRTXVRIQRLN-DNVCBOLYSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000120090949 330385363 /nfs/dbraw/zinc/38/53/63/330385363.db2.gz KJCGPPLVHGBWSW-LJQANCHMSA-N 2 2 295.430 3.766 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000439009118 330732373 /nfs/dbraw/zinc/73/23/73/330732373.db2.gz XQBDDZBGNCZQMW-ZOBUZTSGSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453098735 331089031 /nfs/dbraw/zinc/08/90/31/331089031.db2.gz KJMSAMSTFCWCID-BBRMVZONSA-N 2 2 290.476 3.927 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450914 1126906806 /nfs/dbraw/zinc/90/68/06/1126906806.db2.gz CZBVJZVBPVHICV-DXCKQFNASA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450914 1126906808 /nfs/dbraw/zinc/90/68/08/1126906808.db2.gz CZBVJZVBPVHICV-DXCKQFNASA-N 2 2 294.389 3.654 20 30 CHEDLP CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000191826928 1126955474 /nfs/dbraw/zinc/95/54/74/1126955474.db2.gz XMGHPOKPVFCAAN-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718110978 1127189979 /nfs/dbraw/zinc/18/99/79/1127189979.db2.gz GHJOJXLPBZOWDI-QFBILLFUSA-N 2 2 286.463 3.841 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718110978 1127189980 /nfs/dbraw/zinc/18/99/80/1127189980.db2.gz GHJOJXLPBZOWDI-QFBILLFUSA-N 2 2 286.463 3.841 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602501041 1127584127 /nfs/dbraw/zinc/58/41/27/1127584127.db2.gz CPFHQCLDMFLOES-SJLPKXTDSA-N 2 2 287.451 3.599 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000925182159 1128125024 /nfs/dbraw/zinc/12/50/24/1128125024.db2.gz BJYGRMAUHCKPNS-GJZGRUSLSA-N 2 2 296.418 3.851 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccco1 ZINC000556859001 1128631095 /nfs/dbraw/zinc/63/10/95/1128631095.db2.gz QVMPVFGAJVCRNS-OAHLLOKOSA-N 2 2 273.380 3.553 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236662336 1118922214 /nfs/dbraw/zinc/92/22/14/1118922214.db2.gz NFBWYWQAQPMKET-UHFFFAOYSA-N 2 2 296.414 3.687 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000439009115 1122746348 /nfs/dbraw/zinc/74/63/48/1122746348.db2.gz XQBDDZBGNCZQMW-HLLBOEOZSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000439009115 1122746354 /nfs/dbraw/zinc/74/63/54/1122746354.db2.gz XQBDDZBGNCZQMW-HLLBOEOZSA-N 2 2 264.457 3.584 20 30 CHEDLP CCCCCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201798018 1123150697 /nfs/dbraw/zinc/15/06/97/1123150697.db2.gz LJMDQOYAVUFQGP-UHFFFAOYSA-N 2 2 254.462 3.761 20 30 CHEDLP CCCCCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201798018 1123150699 /nfs/dbraw/zinc/15/06/99/1123150699.db2.gz LJMDQOYAVUFQGP-UHFFFAOYSA-N 2 2 254.462 3.761 20 30 CHEDLP CCCCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201852726 1123152183 /nfs/dbraw/zinc/15/21/83/1123152183.db2.gz IGQWXOYFCWHXIZ-DLBZAZTESA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201852726 1123152185 /nfs/dbraw/zinc/15/21/85/1123152185.db2.gz IGQWXOYFCWHXIZ-DLBZAZTESA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201852726 1123152187 /nfs/dbraw/zinc/15/21/87/1123152187.db2.gz IGQWXOYFCWHXIZ-DLBZAZTESA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201852726 1123152189 /nfs/dbraw/zinc/15/21/89/1123152189.db2.gz IGQWXOYFCWHXIZ-DLBZAZTESA-N 2 2 266.473 3.763 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2CC)CC1 ZINC000474356102 1123511453 /nfs/dbraw/zinc/51/14/53/1123511453.db2.gz RYYZYMSAUHRCSS-UHFFFAOYSA-N 2 2 292.854 3.642 20 30 CHEDLP C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000872140472 1124696080 /nfs/dbraw/zinc/69/60/80/1124696080.db2.gz OHDGOMDLWPRMNX-JFIYKMOQSA-N 2 2 293.414 3.715 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235040011 1130705271 /nfs/dbraw/zinc/70/52/71/1130705271.db2.gz ZYKXCRPABDOVMI-JKSUJKDBSA-N 2 2 252.446 3.563 20 30 CHEDLP CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235040011 1130705273 /nfs/dbraw/zinc/70/52/73/1130705273.db2.gz ZYKXCRPABDOVMI-JKSUJKDBSA-N 2 2 252.446 3.563 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235126087 1130713658 /nfs/dbraw/zinc/71/36/58/1130713658.db2.gz RWIUBCLQMOZZPA-QZTJIDSGSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235126087 1130713661 /nfs/dbraw/zinc/71/36/61/1130713661.db2.gz RWIUBCLQMOZZPA-QZTJIDSGSA-N 2 2 274.452 3.507 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235828574 1130784941 /nfs/dbraw/zinc/78/49/41/1130784941.db2.gz DWGFIJSJZARHAL-MRXNPFEDSA-N 2 2 252.446 3.587 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235828574 1130784945 /nfs/dbraw/zinc/78/49/45/1130784945.db2.gz DWGFIJSJZARHAL-MRXNPFEDSA-N 2 2 252.446 3.587 20 30 CHEDLP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917345 1131031473 /nfs/dbraw/zinc/03/14/73/1131031473.db2.gz SSMJIBHTCFMTKS-UHFFFAOYSA-N 2 2 289.810 3.924 20 30 CHEDLP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236917345 1131031474 /nfs/dbraw/zinc/03/14/74/1131031474.db2.gz SSMJIBHTCFMTKS-UHFFFAOYSA-N 2 2 289.810 3.924 20 30 CHEDLP C=CCCCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209438960 1134020516 /nfs/dbraw/zinc/02/05/16/1134020516.db2.gz ZJBQTLOCJJIPMK-KRWDZBQOSA-N 2 2 288.435 3.980 20 30 CHEDLP C=CCCCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209438960 1134020523 /nfs/dbraw/zinc/02/05/23/1134020523.db2.gz ZJBQTLOCJJIPMK-KRWDZBQOSA-N 2 2 288.435 3.980 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCC[NH2+]3)CC2)CC1 ZINC001226785381 1135741454 /nfs/dbraw/zinc/74/14/54/1135741454.db2.gz QYYYWLUCONDANY-QGZVFWFLSA-N 2 2 274.452 3.507 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414842060 263057931 /nfs/dbraw/zinc/05/79/31/263057931.db2.gz IKXQBZWFVMKTCU-PBHICJAKSA-N 2 2 260.425 3.754 20 30 CHEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953368 330294669 /nfs/dbraw/zinc/29/46/69/330294669.db2.gz WSFVRTXVRIQRLN-KXBFYZLASA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953368 330294670 /nfs/dbraw/zinc/29/46/70/330294670.db2.gz WSFVRTXVRIQRLN-KXBFYZLASA-N 2 2 297.446 3.616 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453098736 331089016 /nfs/dbraw/zinc/08/90/16/331089016.db2.gz KJMSAMSTFCWCID-CJNGLKHVSA-N 2 2 290.476 3.927 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C2CCCCC2)CC1 ZINC000177913961 333065523 /nfs/dbraw/zinc/06/55/23/333065523.db2.gz UXAVWYGRXODZNF-KRWDZBQOSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000380946419 336040449 /nfs/dbraw/zinc/04/04/49/336040449.db2.gz OZQKADSLIHQRSX-WMZOPIPTSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCCCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000380946419 336040451 /nfs/dbraw/zinc/04/04/51/336040451.db2.gz OZQKADSLIHQRSX-WMZOPIPTSA-N 2 2 272.436 3.595 20 30 CHEDLP C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000925182161 1128125291 /nfs/dbraw/zinc/12/52/91/1128125291.db2.gz BJYGRMAUHCKPNS-LSDHHAIUSA-N 2 2 296.418 3.851 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258041371 1128677125 /nfs/dbraw/zinc/67/71/25/1128677125.db2.gz SFMXGHYBQNQPIY-HOTGVXAUSA-N 2 2 266.473 3.952 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258041371 1128677127 /nfs/dbraw/zinc/67/71/27/1128677127.db2.gz SFMXGHYBQNQPIY-HOTGVXAUSA-N 2 2 266.473 3.952 20 30 CHEDLP CCCCCCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258052641 1128702942 /nfs/dbraw/zinc/70/29/42/1128702942.db2.gz QWAHKBAGLSZWDM-BRWVUGGUSA-N 2 2 284.488 3.612 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001167751343 1120540510 /nfs/dbraw/zinc/54/05/10/1120540510.db2.gz JTOZFCNCBWCRJT-MRXNPFEDSA-N 2 2 287.451 3.795 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167751343 1120540514 /nfs/dbraw/zinc/54/05/14/1120540514.db2.gz JTOZFCNCBWCRJT-MRXNPFEDSA-N 2 2 287.451 3.795 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1CC)C1CC1 ZINC000438986735 1122744606 /nfs/dbraw/zinc/74/46/06/1122744606.db2.gz RIQOJNQXCMZEEC-IRXDYDNUSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1CC)C1CC1 ZINC000438986735 1122744610 /nfs/dbraw/zinc/74/46/10/1122744610.db2.gz RIQOJNQXCMZEEC-IRXDYDNUSA-N 2 2 264.457 3.585 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227695 1123851548 /nfs/dbraw/zinc/85/15/48/1123851548.db2.gz FWFCSASVSPCQBA-WMZOPIPTSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897227695 1123851552 /nfs/dbraw/zinc/85/15/52/1123851552.db2.gz FWFCSASVSPCQBA-WMZOPIPTSA-N 2 2 296.499 3.578 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638523429 1129260847 /nfs/dbraw/zinc/26/08/47/1129260847.db2.gz BABQGMRKHBZBTG-UHFFFAOYSA-N 2 2 274.452 3.650 20 30 CHEDLP C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903108591 1130114251 /nfs/dbraw/zinc/11/42/51/1130114251.db2.gz DXQHLICPYKWNEW-HNNXBMFYSA-N 2 2 294.402 3.607 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236235619 1130901977 /nfs/dbraw/zinc/90/19/77/1130901977.db2.gz FFFLSEUITJSOBI-SJLPKXTDSA-N 2 2 274.452 3.505 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236235619 1130901979 /nfs/dbraw/zinc/90/19/79/1130901979.db2.gz FFFLSEUITJSOBI-SJLPKXTDSA-N 2 2 274.452 3.505 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000845930032 1131671734 /nfs/dbraw/zinc/67/17/34/1131671734.db2.gz WWIBYXHFLPHIMV-PMPSAXMXSA-N 2 2 275.440 3.632 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000845930028 1131672038 /nfs/dbraw/zinc/67/20/38/1131672038.db2.gz WWIBYXHFLPHIMV-OWCLPIDISA-N 2 2 275.440 3.632 20 30 CHEDLP CCCCCCCCC[C@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001173285655 1132455752 /nfs/dbraw/zinc/45/57/52/1132455752.db2.gz ZPORSAQPEDRFHL-INIZCTEOSA-N 2 2 284.488 3.613 20 30 CHEDLP CCCCCCC/C=C/C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476338 1134224969 /nfs/dbraw/zinc/22/49/69/1134224969.db2.gz VFSFDFDQEPAOSX-SCOAYWHSSA-N 2 2 252.446 3.587 20 30 CHEDLP CCCCCCC/C=C/C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476338 1134224976 /nfs/dbraw/zinc/22/49/76/1134224976.db2.gz VFSFDFDQEPAOSX-SCOAYWHSSA-N 2 2 252.446 3.587 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000340230000 263098443 /nfs/dbraw/zinc/09/84/43/263098443.db2.gz DUCBBMWKSLCYSC-OAHLLOKOSA-N 2 2 284.447 3.865 20 30 CHEDLP C[N@@H+]1CC[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000368060565 327232802 /nfs/dbraw/zinc/23/28/02/327232802.db2.gz ULGSZXBTJICJCC-ZWKOTPCHSA-N 2 2 299.462 3.741 20 30 CHEDLP C[N@H+]1CC[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000368060565 327232804 /nfs/dbraw/zinc/23/28/04/327232804.db2.gz ULGSZXBTJICJCC-ZWKOTPCHSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000177909209 329189853 /nfs/dbraw/zinc/18/98/53/329189853.db2.gz YZZJTZZASUCULI-CYBMUJFWSA-N 2 2 278.827 3.641 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000278963294 330121163 /nfs/dbraw/zinc/12/11/63/330121163.db2.gz NXBSLLMMXJRQEH-MRXNPFEDSA-N 2 2 276.424 3.749 20 30 CHEDLP N#CCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423001093 330163768 /nfs/dbraw/zinc/16/37/68/330163768.db2.gz WLMSTQGLYNKEPB-FHWLQOOXSA-N 2 2 291.398 3.766 20 30 CHEDLP C=CCC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccco1 ZINC000423180459 330175456 /nfs/dbraw/zinc/17/54/56/330175456.db2.gz NUZJGTAYHMDPTH-AWEZNQCLSA-N 2 2 262.397 3.538 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527860796 330289398 /nfs/dbraw/zinc/28/93/98/330289398.db2.gz XYXOLIAZHKOLIL-LJQANCHMSA-N 2 2 286.463 3.932 20 30 CHEDLP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000449253724 330910123 /nfs/dbraw/zinc/91/01/23/330910123.db2.gz ZOVDWWANJPQVQB-WEOZKBJRSA-N 2 2 299.462 3.740 20 30 CHEDLP C=CCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463250495 331344260 /nfs/dbraw/zinc/34/42/60/331344260.db2.gz MFVQRKWHSNYRIN-UHFFFAOYSA-N 2 2 292.854 3.860 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)C2CCCCC2)CC1 ZINC000482647171 331842108 /nfs/dbraw/zinc/84/21/08/331842108.db2.gz ABANHPKYWKJJQF-SFHVURJKSA-N 2 2 278.484 3.975 20 30 CHEDLP C=CCCCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513464193 333021168 /nfs/dbraw/zinc/02/11/68/333021168.db2.gz VOWHBJIGICWBFR-INIZCTEOSA-N 2 2 287.451 3.775 20 30 CHEDLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000185754501 333148167 /nfs/dbraw/zinc/14/81/67/333148167.db2.gz LEBCIPJIOGYQHK-WDSOQIARSA-N 2 2 299.462 3.524 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000130509906 333847960 /nfs/dbraw/zinc/84/79/60/333847960.db2.gz YWCQKJCDPMSSSD-SJLPKXTDSA-N 2 2 272.436 3.768 20 30 CHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248706382 334314215 /nfs/dbraw/zinc/31/42/15/334314215.db2.gz AUCZOFNQWWTKMJ-LZLYRXPVSA-N 2 2 299.462 3.788 20 30 CHEDLP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000380946413 336040430 /nfs/dbraw/zinc/04/04/30/336040430.db2.gz OZQKADSLIHQRSX-FUHWJXTLSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000380946413 336040432 /nfs/dbraw/zinc/04/04/32/336040432.db2.gz OZQKADSLIHQRSX-FUHWJXTLSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384872191 336133320 /nfs/dbraw/zinc/13/33/20/336133320.db2.gz RILPXZPZTCLLBC-CQSZACIVSA-N 2 2 269.392 3.735 20 30 CHEDLP C=CCC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccco1 ZINC000353448681 527483535 /nfs/dbraw/zinc/48/35/35/527483535.db2.gz OEKFOKPQHNSYPB-HNNXBMFYSA-N 2 2 264.413 3.607 20 30 CHEDLP C=CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccco1 ZINC000353448681 527483538 /nfs/dbraw/zinc/48/35/38/527483538.db2.gz OEKFOKPQHNSYPB-HNNXBMFYSA-N 2 2 264.413 3.607 20 30 CHEDLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000886710812 1125711529 /nfs/dbraw/zinc/71/15/29/1125711529.db2.gz GSRQYSSJAWTMAY-MRXNPFEDSA-N 2 2 297.446 3.570 20 30 CHEDLP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181571334 1126857716 /nfs/dbraw/zinc/85/77/16/1126857716.db2.gz JGYVAXCQKOGGHJ-HOTGVXAUSA-N 2 2 299.462 3.547 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602623415 1127598410 /nfs/dbraw/zinc/59/84/10/1127598410.db2.gz PJSABEKTFQVSNQ-MJGOQNOKSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602623415 1127598415 /nfs/dbraw/zinc/59/84/15/1127598415.db2.gz PJSABEKTFQVSNQ-MJGOQNOKSA-N 2 2 299.462 3.571 20 30 CHEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000374575737 1127904412 /nfs/dbraw/zinc/90/44/12/1127904412.db2.gz MZGRJYGLMJFFTG-HOTGVXAUSA-N 2 2 275.440 3.793 20 30 CHEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683496 1117925967 /nfs/dbraw/zinc/92/59/67/1117925967.db2.gz LVFBLJKSVVSJEW-INIZCTEOSA-N 2 2 290.838 3.526 20 30 CHEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842683496 1117925969 /nfs/dbraw/zinc/92/59/69/1117925969.db2.gz LVFBLJKSVVSJEW-INIZCTEOSA-N 2 2 290.838 3.526 20 30 CHEDLP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000651673690 1120708271 /nfs/dbraw/zinc/70/82/71/1120708271.db2.gz TYIMGHQRFKTJOF-LPHOPBHVSA-N 2 2 295.430 3.766 20 30 CHEDLP C=CCC[C@@H](CCC)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675742998 1121353593 /nfs/dbraw/zinc/35/35/93/1121353593.db2.gz CJJMICXHEWBPEC-HZPDHXFCSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC001196058130 1122903003 /nfs/dbraw/zinc/90/30/03/1122903003.db2.gz XJNVFSFZCLZGID-FGTMMUONSA-N 2 2 278.484 3.974 20 30 CHEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001196058130 1122903006 /nfs/dbraw/zinc/90/30/06/1122903006.db2.gz XJNVFSFZCLZGID-FGTMMUONSA-N 2 2 278.484 3.974 20 30 CHEDLP C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000902990488 1130097441 /nfs/dbraw/zinc/09/74/41/1130097441.db2.gz VXEPVFLFBRBPMI-OAHLLOKOSA-N 2 2 296.418 3.853 20 30 CHEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903089177 1130110274 /nfs/dbraw/zinc/11/02/74/1130110274.db2.gz WKOOFJHOUIMIJQ-BQFCYCMXSA-N 2 2 293.414 3.715 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000793536000 1130565781 /nfs/dbraw/zinc/56/57/81/1130565781.db2.gz USPLBALXRKWJEO-JKSUJKDBSA-N 2 2 284.513 3.538 20 30 CHEDLP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236911437 1131032058 /nfs/dbraw/zinc/03/20/58/1131032058.db2.gz JUXRNUUGSUIUNP-UHFFFAOYSA-N 2 2 289.810 3.924 20 30 CHEDLP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236911437 1131032063 /nfs/dbraw/zinc/03/20/63/1131032063.db2.gz JUXRNUUGSUIUNP-UHFFFAOYSA-N 2 2 289.810 3.924 20 30 CHEDLP CC[NH+](CC)C1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001173110368 1132393979 /nfs/dbraw/zinc/39/39/79/1132393979.db2.gz MTPUKOGZCQRZCE-JCYILVPMSA-N 2 2 279.472 3.557 20 30 CHEDLP CC[NH+](CC)C1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001173110369 1132394106 /nfs/dbraw/zinc/39/41/06/1132394106.db2.gz MTPUKOGZCQRZCE-OFLPRAFFSA-N 2 2 279.472 3.557 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414842071 263058031 /nfs/dbraw/zinc/05/80/31/263058031.db2.gz IKXQBZWFVMKTCU-YOEHRIQHSA-N 2 2 260.425 3.754 20 30 CHEDLP C=CCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935266 263139383 /nfs/dbraw/zinc/13/93/83/263139383.db2.gz FPQBUSGZSXGKML-KSSFIOAISA-N 2 2 268.404 3.784 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000187977307 263607186 /nfs/dbraw/zinc/60/71/86/263607186.db2.gz TWKCKMRFSXUKEU-WOJBJXKFSA-N 2 2 298.474 3.737 20 30 CHEDLP C=CCC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000367635148 267105550 /nfs/dbraw/zinc/10/55/50/267105550.db2.gz KJKFJRDDBAADNB-JCYILVPMSA-N 2 2 288.435 3.893 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)c1C ZINC000564661999 327248546 /nfs/dbraw/zinc/24/85/46/327248546.db2.gz UYAVNZLNGDNLJD-GDBMZVCRSA-N 2 2 280.375 3.593 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2)CC1 ZINC000177912084 329189977 /nfs/dbraw/zinc/18/99/77/329189977.db2.gz KZPJMZWCBOEVPR-KRWDZBQOSA-N 2 2 276.399 3.517 20 30 CHEDLP C#CCCC[NH+]1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000271539125 330081052 /nfs/dbraw/zinc/08/10/52/330081052.db2.gz NCYCRZUTMZODOR-UHFFFAOYSA-N 2 2 295.430 3.649 20 30 CHEDLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(C#N)c1 ZINC000423275252 330185080 /nfs/dbraw/zinc/18/50/80/330185080.db2.gz LJSRNQYCMZWJEK-OAHLLOKOSA-N 2 2 285.435 3.521 20 30 CHEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1CC)C1CC1 ZINC000423506706 330208876 /nfs/dbraw/zinc/20/88/76/330208876.db2.gz PFROEHSLPHMCMO-ZWKOTPCHSA-N 2 2 272.436 3.583 20 30 CHEDLP CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537292876 330431209 /nfs/dbraw/zinc/43/12/09/330431209.db2.gz BSPLFFJLJKTXGQ-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000439096110 330733710 /nfs/dbraw/zinc/73/37/10/330733710.db2.gz VRJYPHYLBAZXFW-MRXNPFEDSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449122461 330900232 /nfs/dbraw/zinc/90/02/32/330900232.db2.gz LNQCEGBQOZOBOC-KRWDZBQOSA-N 2 2 276.468 3.729 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482625007 331840700 /nfs/dbraw/zinc/84/07/00/331840700.db2.gz BZULPCPWXKPEBH-MRXNPFEDSA-N 2 2 298.474 3.866 20 30 CHEDLP CC[C@H](CC#N)[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000516876102 333085178 /nfs/dbraw/zinc/08/51/78/333085178.db2.gz NAHBDGXXTNITON-MRXNPFEDSA-N 2 2 298.434 3.797 20 30 CHEDLP C=CC[NH+]1CCC(Nc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000564893004 334526442 /nfs/dbraw/zinc/52/64/42/334526442.db2.gz QJCBFFOVGPXZQJ-UHFFFAOYSA-N 2 2 281.403 3.606 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000793535998 1130565815 /nfs/dbraw/zinc/56/58/15/1130565815.db2.gz USPLBALXRKWJEO-HZPDHXFCSA-N 2 2 284.513 3.538 20 30 CHEDLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181924529 1126862478 /nfs/dbraw/zinc/86/24/78/1126862478.db2.gz ROJMAWUUDAIDQT-SFHVURJKSA-N 2 2 299.462 3.691 20 30 CHEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000182662775 1126875378 /nfs/dbraw/zinc/87/53/78/1126875378.db2.gz PHZUJALQOFXHDM-UHFFFAOYSA-N 2 2 295.839 3.676 20 30 CHEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000182662775 1126875382 /nfs/dbraw/zinc/87/53/82/1126875382.db2.gz PHZUJALQOFXHDM-UHFFFAOYSA-N 2 2 295.839 3.676 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000373698133 1127857897 /nfs/dbraw/zinc/85/78/97/1127857897.db2.gz CXDKDCBUTIKPDY-MRXNPFEDSA-N 2 2 299.418 3.652 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000924534453 1128102617 /nfs/dbraw/zinc/10/26/17/1128102617.db2.gz WVTKETWBCSQZQS-AEFFLSMTSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209445581 1118063095 /nfs/dbraw/zinc/06/30/95/1118063095.db2.gz LHNYJSIWPSDJHE-ROUUACIJSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209445581 1118063101 /nfs/dbraw/zinc/06/31/01/1118063101.db2.gz LHNYJSIWPSDJHE-ROUUACIJSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209445581 1118063106 /nfs/dbraw/zinc/06/31/06/1118063106.db2.gz LHNYJSIWPSDJHE-ROUUACIJSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209445581 1118063109 /nfs/dbraw/zinc/06/31/09/1118063109.db2.gz LHNYJSIWPSDJHE-ROUUACIJSA-N 2 2 278.484 3.929 20 30 CHEDLP C=C(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000344122122 1123263353 /nfs/dbraw/zinc/26/33/53/1123263353.db2.gz PQEAVYWKOWVZCM-UHFFFAOYSA-N 2 2 295.411 3.737 20 30 CHEDLP C#CCCCCCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000876921054 1124989722 /nfs/dbraw/zinc/98/97/22/1124989722.db2.gz JAJKYZPASKDHTQ-UHFFFAOYSA-N 2 2 295.430 3.605 20 30 CHEDLP C=CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192032455 1125330043 /nfs/dbraw/zinc/33/00/43/1125330043.db2.gz OHBAAYYIVTVZPM-UHFFFAOYSA-N 2 2 269.392 3.579 20 30 CHEDLP C=CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192032455 1125330046 /nfs/dbraw/zinc/33/00/46/1125330046.db2.gz OHBAAYYIVTVZPM-UHFFFAOYSA-N 2 2 269.392 3.579 20 30 CHEDLP C=CCCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000883223337 1125379727 /nfs/dbraw/zinc/37/97/27/1125379727.db2.gz MZANXVZCNKKGEX-IRXDYDNUSA-N 2 2 295.430 3.954 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235004851 1130701962 /nfs/dbraw/zinc/70/19/62/1130701962.db2.gz UOXRLWICBJPRET-IRXDYDNUSA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235004851 1130701967 /nfs/dbraw/zinc/70/19/67/1130701967.db2.gz UOXRLWICBJPRET-IRXDYDNUSA-N 2 2 264.457 3.729 20 30 CHEDLP C=CC[N@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238119703 1131172086 /nfs/dbraw/zinc/17/20/86/1131172086.db2.gz QKBDRWQFRNFUOF-UHFFFAOYSA-N 2 2 277.371 3.523 20 30 CHEDLP C=CC[N@@H+](Cc1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238119703 1131172090 /nfs/dbraw/zinc/17/20/90/1131172090.db2.gz QKBDRWQFRNFUOF-UHFFFAOYSA-N 2 2 277.371 3.523 20 30 CHEDLP C=CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC001141243236 1132058325 /nfs/dbraw/zinc/05/83/25/1132058325.db2.gz AYUNWISQHWAEEU-UHFFFAOYSA-N 2 2 269.392 3.659 20 30 CHEDLP C=CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC001141243236 1132058332 /nfs/dbraw/zinc/05/83/32/1132058332.db2.gz AYUNWISQHWAEEU-UHFFFAOYSA-N 2 2 269.392 3.659 20 30 CHEDLP C[C@@H](CCCC#N)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172491593 1132247486 /nfs/dbraw/zinc/24/74/86/1132247486.db2.gz FNRVNRQGYHIHED-KRWDZBQOSA-N 2 2 299.462 3.665 20 30 CHEDLP C[C@@H](CCCC#N)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172491593 1132247490 /nfs/dbraw/zinc/24/74/90/1132247490.db2.gz FNRVNRQGYHIHED-KRWDZBQOSA-N 2 2 299.462 3.665 20 30 CHEDLP CCCCCCC[C@H](CCC)[NH2+]CC1C[NH+](C)C1 ZINC001172507773 1132256386 /nfs/dbraw/zinc/25/63/86/1132256386.db2.gz BJMHTRRMVVRWAZ-INIZCTEOSA-N 2 2 254.462 3.667 20 30 CHEDLP CCCCCCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001173284707 1132456160 /nfs/dbraw/zinc/45/61/60/1132456160.db2.gz HYHYZUCLAKNBRI-GVDBMIGSSA-N 2 2 284.488 3.612 20 30 CHEDLP C=CCCCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191607 1135206220 /nfs/dbraw/zinc/20/62/20/1135206220.db2.gz NSWOVHUFXYVOLV-QGZVFWFLSA-N 2 2 264.457 3.731 20 30 CHEDLP C=CCCCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191607 1135206216 /nfs/dbraw/zinc/20/62/16/1135206216.db2.gz NSWOVHUFXYVOLV-QGZVFWFLSA-N 2 2 264.457 3.731 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414842064 263057884 /nfs/dbraw/zinc/05/78/84/263057884.db2.gz IKXQBZWFVMKTCU-RHSMWYFYSA-N 2 2 260.425 3.754 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@H+](CCC#N)CCC(C)C ZINC000289473626 263110536 /nfs/dbraw/zinc/11/05/36/263110536.db2.gz ZFHZXHFJPBGEJD-UHFFFAOYSA-N 2 2 273.424 3.584 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@@H+](CCC#N)CCC(C)C ZINC000289473626 263110537 /nfs/dbraw/zinc/11/05/37/263110537.db2.gz ZFHZXHFJPBGEJD-UHFFFAOYSA-N 2 2 273.424 3.584 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000177905956 329189956 /nfs/dbraw/zinc/18/99/56/329189956.db2.gz CDTSWIZFNADAPI-MRXNPFEDSA-N 2 2 272.436 3.604 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccccc2F)CC1 ZINC000180490244 329219732 /nfs/dbraw/zinc/21/97/32/329219732.db2.gz SBFAZDCURVXYPQ-GOSISDBHSA-N 2 2 290.426 3.907 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000482632042 331841498 /nfs/dbraw/zinc/84/14/98/331841498.db2.gz PEWVLVLYCZZCTH-OAHLLOKOSA-N 2 2 290.426 3.744 20 30 CHEDLP CC[C@@H](CC#N)[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000516876101 333085070 /nfs/dbraw/zinc/08/50/70/333085070.db2.gz NAHBDGXXTNITON-INIZCTEOSA-N 2 2 298.434 3.797 20 30 CHEDLP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000380946415 336040543 /nfs/dbraw/zinc/04/05/43/336040543.db2.gz OZQKADSLIHQRSX-SJLPKXTDSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000380946415 336040544 /nfs/dbraw/zinc/04/05/44/336040544.db2.gz OZQKADSLIHQRSX-SJLPKXTDSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384872190 336133238 /nfs/dbraw/zinc/13/32/38/336133238.db2.gz RILPXZPZTCLLBC-AWEZNQCLSA-N 2 2 269.392 3.735 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000109940842 1118609509 /nfs/dbraw/zinc/60/95/09/1118609509.db2.gz HOUNQOZTSYVEJU-HZPDHXFCSA-N 2 2 254.462 3.809 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000109940842 1118609512 /nfs/dbraw/zinc/60/95/12/1118609512.db2.gz HOUNQOZTSYVEJU-HZPDHXFCSA-N 2 2 254.462 3.809 20 30 CHEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827444 1126903130 /nfs/dbraw/zinc/90/31/30/1126903130.db2.gz AUCZOFNQWWTKMJ-SOLBZPMBSA-N 2 2 299.462 3.788 20 30 CHEDLP C=CCC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000358324542 1127415515 /nfs/dbraw/zinc/41/55/15/1127415515.db2.gz BTTOENZYTPCXFM-NJAFHUGGSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CCC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000358324542 1127415518 /nfs/dbraw/zinc/41/55/18/1127415518.db2.gz BTTOENZYTPCXFM-NJAFHUGGSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000130509673 1128584800 /nfs/dbraw/zinc/58/48/00/1128584800.db2.gz YWCQKJCDPMSSSD-FUHWJXTLSA-N 2 2 272.436 3.768 20 30 CHEDLP C=CC(C)(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000623592409 1117876291 /nfs/dbraw/zinc/87/62/91/1117876291.db2.gz LGATZDXGZKFLLO-UHFFFAOYSA-N 2 2 269.392 3.564 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000152930046 1119138346 /nfs/dbraw/zinc/13/83/46/1119138346.db2.gz STQVLNWLXQDYSU-CQSZACIVSA-N 2 2 276.399 3.517 20 30 CHEDLP CC(C)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181435352 1120071264 /nfs/dbraw/zinc/07/12/64/1120071264.db2.gz LPJIZCBSRNLGDM-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167751342 1120540738 /nfs/dbraw/zinc/54/07/38/1120540738.db2.gz JTOZFCNCBWCRJT-INIZCTEOSA-N 2 2 287.451 3.795 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167751342 1120540741 /nfs/dbraw/zinc/54/07/41/1120540741.db2.gz JTOZFCNCBWCRJT-INIZCTEOSA-N 2 2 287.451 3.795 20 30 CHEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000651700035 1120716233 /nfs/dbraw/zinc/71/62/33/1120716233.db2.gz QLBBLCOZFAKKMZ-JKSUJKDBSA-N 2 2 273.424 3.608 20 30 CHEDLP C=CCCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001176798821 1121697733 /nfs/dbraw/zinc/69/77/33/1121697733.db2.gz ZFDODTITDGSJQW-UHFFFAOYSA-N 2 2 283.419 3.969 20 30 CHEDLP C=CCCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001176798821 1121697738 /nfs/dbraw/zinc/69/77/38/1121697738.db2.gz ZFDODTITDGSJQW-UHFFFAOYSA-N 2 2 283.419 3.969 20 30 CHEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000345546199 1121893389 /nfs/dbraw/zinc/89/33/89/1121893389.db2.gz RLIAAWWWRXKSLO-UHFFFAOYSA-N 2 2 295.839 3.595 20 30 CHEDLP C=CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000345546199 1121893397 /nfs/dbraw/zinc/89/33/97/1121893397.db2.gz RLIAAWWWRXKSLO-UHFFFAOYSA-N 2 2 295.839 3.595 20 30 CHEDLP CCCCCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984829 1129622200 /nfs/dbraw/zinc/62/22/00/1129622200.db2.gz SKMQJBYUKMIVLL-UHFFFAOYSA-N 2 2 263.429 3.950 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000793527725 1130564896 /nfs/dbraw/zinc/56/48/96/1130564896.db2.gz UFGNHOSYGMKFKU-MRXNPFEDSA-N 2 2 289.467 3.877 20 30 CHEDLP C=CCCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074941 1130606326 /nfs/dbraw/zinc/60/63/26/1130606326.db2.gz DHLRXAWFSKOWNV-UHFFFAOYSA-N 2 2 299.418 3.669 20 30 CHEDLP C=CCCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074941 1130606330 /nfs/dbraw/zinc/60/63/30/1130606330.db2.gz DHLRXAWFSKOWNV-UHFFFAOYSA-N 2 2 299.418 3.669 20 30 CHEDLP C=CCCCCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209441932 1134022342 /nfs/dbraw/zinc/02/23/42/1134022342.db2.gz QHLPDUIZLBZOTN-UHFFFAOYSA-N 2 2 290.495 3.931 20 30 CHEDLP C=CCCCCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209441932 1134022347 /nfs/dbraw/zinc/02/23/47/1134022347.db2.gz QHLPDUIZLBZOTN-UHFFFAOYSA-N 2 2 290.495 3.931 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(F)c2)CC1 ZINC000187977436 260068873 /nfs/dbraw/zinc/06/88/73/260068873.db2.gz XODGLDCIKOAMFZ-QGZVFWFLSA-N 2 2 276.399 3.517 20 30 CHEDLP C=C(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000340436953 263147235 /nfs/dbraw/zinc/14/72/35/263147235.db2.gz JGXMHCXRYPNUEP-UHFFFAOYSA-N 2 2 289.382 3.675 20 30 CHEDLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000340446010 263152452 /nfs/dbraw/zinc/15/24/52/263152452.db2.gz MYBODIMZMNOXSF-SUMDDJOVSA-N 2 2 297.446 3.636 20 30 CHEDLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000340446010 263152453 /nfs/dbraw/zinc/15/24/53/263152453.db2.gz MYBODIMZMNOXSF-SUMDDJOVSA-N 2 2 297.446 3.636 20 30 CHEDLP C=CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361826665 266890526 /nfs/dbraw/zinc/89/05/26/266890526.db2.gz ATLTWZLGZRUAGM-UHFFFAOYSA-N 2 2 281.403 3.579 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289989376 328528172 /nfs/dbraw/zinc/52/81/72/328528172.db2.gz YHKMKHCBWIBEAD-HNNXBMFYSA-N 2 2 295.430 3.536 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000177910434 329189818 /nfs/dbraw/zinc/18/98/18/329189818.db2.gz XEAOYAOYWJBTBF-MRXNPFEDSA-N 2 2 272.436 3.604 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000177913257 329189986 /nfs/dbraw/zinc/18/99/86/329189986.db2.gz QPHUEDKJIRWAQW-FQEVSTJZSA-N 2 2 298.474 3.556 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000177910583 329190207 /nfs/dbraw/zinc/19/02/07/329190207.db2.gz JUPGOBVQZOBEDS-BEFAXECRSA-N 2 2 284.447 3.865 20 30 CHEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181742596 329236244 /nfs/dbraw/zinc/23/62/44/329236244.db2.gz FMLXGUMDSYDGRI-OAHLLOKOSA-N 2 2 299.462 3.547 20 30 CHEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000274756939 330107412 /nfs/dbraw/zinc/10/74/12/330107412.db2.gz JEGUBVKNPWKOOY-QGZVFWFLSA-N 2 2 294.389 3.656 20 30 CHEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450674849 330992747 /nfs/dbraw/zinc/99/27/47/330992747.db2.gz CFTPPPWUKAFRSH-CQSZACIVSA-N 2 2 294.402 3.525 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194886251 331070520 /nfs/dbraw/zinc/07/05/20/331070520.db2.gz DZWQDPFTVRNYTB-CQSZACIVSA-N 2 2 290.476 3.710 20 30 CHEDLP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513485342 333022157 /nfs/dbraw/zinc/02/21/57/333022157.db2.gz QVPNGKBIQYGKPT-CYBMUJFWSA-N 2 2 292.389 3.738 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000572531522 334345439 /nfs/dbraw/zinc/34/54/39/334345439.db2.gz XWDDTKIPPPATIT-UHFFFAOYSA-N 2 2 276.468 3.729 20 30 CHEDLP C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343502886 335205598 /nfs/dbraw/zinc/20/55/98/335205598.db2.gz KYFLZDHVTUBOQX-GOEBONIOSA-N 2 2 269.392 3.878 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191273147 1126950062 /nfs/dbraw/zinc/95/00/62/1126950062.db2.gz GMTCZDLHQISJQS-NSHDSACASA-N 2 2 284.856 3.703 20 30 CHEDLP CC(C)CCC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692598 1127659839 /nfs/dbraw/zinc/65/98/39/1127659839.db2.gz GRZWYBBMGDSIEY-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209441828 1118061397 /nfs/dbraw/zinc/06/13/97/1118061397.db2.gz KOZKDGACWXURGP-IAGOWNOFSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209441828 1118061403 /nfs/dbraw/zinc/06/14/03/1118061403.db2.gz KOZKDGACWXURGP-IAGOWNOFSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209441828 1118061409 /nfs/dbraw/zinc/06/14/09/1118061409.db2.gz KOZKDGACWXURGP-IAGOWNOFSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209441828 1118061414 /nfs/dbraw/zinc/06/14/14/1118061414.db2.gz KOZKDGACWXURGP-IAGOWNOFSA-N 2 2 264.457 3.539 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000106245748 1123157107 /nfs/dbraw/zinc/15/71/07/1123157107.db2.gz QYWFYFALBQSUQX-RHSMWYFYSA-N 2 2 288.435 3.533 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000474711798 1123574628 /nfs/dbraw/zinc/57/46/28/1123574628.db2.gz SFAGOGNTSNCDNU-CVEARBPZSA-N 2 2 278.484 3.831 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655711196 1123855043 /nfs/dbraw/zinc/85/50/43/1123855043.db2.gz GGQJUZJDNPQSND-SFHVURJKSA-N 2 2 284.447 3.531 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)c2ccccn2)CC1 ZINC000159041740 1129158030 /nfs/dbraw/zinc/15/80/30/1129158030.db2.gz VYZVWFMYQRVMLW-GOSISDBHSA-N 2 2 287.451 3.553 20 30 CHEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805407 1124015213 /nfs/dbraw/zinc/01/52/13/1124015213.db2.gz YTWDNZAOCIKMRF-QGZVFWFLSA-N 2 2 291.483 3.703 20 30 CHEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805407 1124015218 /nfs/dbraw/zinc/01/52/18/1124015218.db2.gz YTWDNZAOCIKMRF-QGZVFWFLSA-N 2 2 291.483 3.703 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532231542 1125244025 /nfs/dbraw/zinc/24/40/25/1125244025.db2.gz TULQQLOBMVTOPV-LJQANCHMSA-N 2 2 284.447 3.768 20 30 CHEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC000792205923 1130439857 /nfs/dbraw/zinc/43/98/57/1130439857.db2.gz AZVASFBOSGXXJV-UHFFFAOYSA-N 2 2 269.392 3.577 20 30 CHEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC000792205923 1130439860 /nfs/dbraw/zinc/43/98/60/1130439860.db2.gz AZVASFBOSGXXJV-UHFFFAOYSA-N 2 2 269.392 3.577 20 30 CHEDLP C=CC[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678929823 1130473002 /nfs/dbraw/zinc/47/30/02/1130473002.db2.gz OQGGXVKERYNWDC-NVXWUHKLSA-N 2 2 272.436 3.594 20 30 CHEDLP C=CC[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678929823 1130473004 /nfs/dbraw/zinc/47/30/04/1130473004.db2.gz OQGGXVKERYNWDC-NVXWUHKLSA-N 2 2 272.436 3.594 20 30 CHEDLP CCCCCCCCC[C@@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001173285656 1132456630 /nfs/dbraw/zinc/45/66/30/1132456630.db2.gz ZPORSAQPEDRFHL-MRXNPFEDSA-N 2 2 284.488 3.613 20 30 CHEDLP N#CCC1CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001173332234 1132464037 /nfs/dbraw/zinc/46/40/37/1132464037.db2.gz JPGUIVSUWPZIRC-UHFFFAOYSA-N 2 2 294.402 3.654 20 30 CHEDLP C=CCCCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209438961 1134020753 /nfs/dbraw/zinc/02/07/53/1134020753.db2.gz ZJBQTLOCJJIPMK-QGZVFWFLSA-N 2 2 288.435 3.980 20 30 CHEDLP C=CCCCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209438961 1134020758 /nfs/dbraw/zinc/02/07/58/1134020758.db2.gz ZJBQTLOCJJIPMK-QGZVFWFLSA-N 2 2 288.435 3.980 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001222384851 1135233584 /nfs/dbraw/zinc/23/35/84/1135233584.db2.gz ASCMKRIOGJWUHV-MOPGFXCFSA-N 2 2 288.479 3.897 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001222384851 1135233591 /nfs/dbraw/zinc/23/35/91/1135233591.db2.gz ASCMKRIOGJWUHV-MOPGFXCFSA-N 2 2 288.479 3.897 20 30 CHEDLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C#N)cc1 ZINC000278799780 328230426 /nfs/dbraw/zinc/23/04/26/328230426.db2.gz RCDOSYFFIOPDCV-SFHVURJKSA-N 2 2 279.387 3.545 20 30 CHEDLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C#N)cc1 ZINC000278799778 328230287 /nfs/dbraw/zinc/23/02/87/328230287.db2.gz RCDOSYFFIOPDCV-GOSISDBHSA-N 2 2 279.387 3.545 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)s2)CC1 ZINC000177913893 329189780 /nfs/dbraw/zinc/18/97/80/329189780.db2.gz RTDYWPHZHFBHTF-CYBMUJFWSA-N 2 2 278.465 3.612 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000177905971 329190015 /nfs/dbraw/zinc/19/00/15/329190015.db2.gz CDTSWIZFNADAPI-INIZCTEOSA-N 2 2 272.436 3.604 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2ccccc2)CC1 ZINC000177904348 329190218 /nfs/dbraw/zinc/19/02/18/329190218.db2.gz CLQXUFQBJVCSTO-GOSISDBHSA-N 2 2 272.436 3.768 20 30 CHEDLP C=CCC[C@H](CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268771356 330066460 /nfs/dbraw/zinc/06/64/60/330066460.db2.gz PYQDDVNIHGPRMZ-SFHVURJKSA-N 2 2 283.419 3.766 20 30 CHEDLP N#CCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423001095 330163832 /nfs/dbraw/zinc/16/38/32/330163832.db2.gz WLMSTQGLYNKEPB-QYZOEREBSA-N 2 2 291.398 3.766 20 30 CHEDLP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000449253725 330910154 /nfs/dbraw/zinc/91/01/54/330910154.db2.gz ZOVDWWANJPQVQB-ZTRSQXPZSA-N 2 2 299.462 3.740 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000474707251 331595224 /nfs/dbraw/zinc/59/52/24/331595224.db2.gz IVMPJRZSAQBJEX-WMZOPIPTSA-N 2 2 278.484 3.831 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000482646057 331842289 /nfs/dbraw/zinc/84/22/89/331842289.db2.gz JQWXRNZBNDYELA-ZDUSSCGKSA-N 2 2 290.476 3.538 20 30 CHEDLP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000564148052 333113212 /nfs/dbraw/zinc/11/32/12/333113212.db2.gz LNLVUHGVSYEDFJ-BRWVUGGUSA-N 2 2 274.452 3.697 20 30 CHEDLP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000564148052 333113213 /nfs/dbraw/zinc/11/32/13/333113213.db2.gz LNLVUHGVSYEDFJ-BRWVUGGUSA-N 2 2 274.452 3.697 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136078763 334145928 /nfs/dbraw/zinc/14/59/28/334145928.db2.gz VIAMKGMJVXWZRI-UHFFFAOYSA-N 2 2 296.817 3.609 20 30 CHEDLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000886710811 1125711286 /nfs/dbraw/zinc/71/12/86/1125711286.db2.gz GSRQYSSJAWTMAY-INIZCTEOSA-N 2 2 297.446 3.570 20 30 CHEDLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594520930 1127421753 /nfs/dbraw/zinc/42/17/53/1127421753.db2.gz RQGOVEJYWCUFTB-OTWHNJEPSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594520930 1127421757 /nfs/dbraw/zinc/42/17/57/1127421757.db2.gz RQGOVEJYWCUFTB-OTWHNJEPSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000178958100 1117898626 /nfs/dbraw/zinc/89/86/26/1117898626.db2.gz CCUVEOQQEXGVDZ-LJQANCHMSA-N 2 2 284.447 3.612 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779194167 1128785392 /nfs/dbraw/zinc/78/53/92/1128785392.db2.gz WOSXOHHPRFUNBA-CABCVRRESA-N 2 2 263.429 3.537 20 30 CHEDLP C=C(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000187773721 1119262612 /nfs/dbraw/zinc/26/26/12/1119262612.db2.gz UBGVSQNANALHOA-PBHICJAKSA-N 2 2 294.389 3.656 20 30 CHEDLP C=C(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000187773721 1119262616 /nfs/dbraw/zinc/26/26/16/1119262616.db2.gz UBGVSQNANALHOA-PBHICJAKSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[N@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000444579874 1124044071 /nfs/dbraw/zinc/04/40/71/1124044071.db2.gz ACIWVNFFLOBXCP-UHFFFAOYSA-N 2 2 278.465 3.612 20 30 CHEDLP C=CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000444579874 1124044074 /nfs/dbraw/zinc/04/40/74/1124044074.db2.gz ACIWVNFFLOBXCP-UHFFFAOYSA-N 2 2 278.465 3.612 20 30 CHEDLP C=CCC[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235701400 1130769521 /nfs/dbraw/zinc/76/95/21/1130769521.db2.gz AXXPJJFJBFCQQQ-HXUWFJFHSA-N 2 2 294.442 3.635 20 30 CHEDLP C=CCC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235701400 1130769523 /nfs/dbraw/zinc/76/95/23/1130769523.db2.gz AXXPJJFJBFCQQQ-HXUWFJFHSA-N 2 2 294.442 3.635 20 30 CHEDLP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651234 1131777884 /nfs/dbraw/zinc/77/78/84/1131777884.db2.gz BSZSIMVXYGYQER-ARFHVFGLSA-N 2 2 252.446 3.549 20 30 CHEDLP CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651234 1131777893 /nfs/dbraw/zinc/77/78/93/1131777893.db2.gz BSZSIMVXYGYQER-ARFHVFGLSA-N 2 2 252.446 3.549 20 30 CHEDLP C=CCCCC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244912 1132057927 /nfs/dbraw/zinc/05/79/27/1132057927.db2.gz WOQFIGINXYGXGW-UHFFFAOYSA-N 2 2 269.392 3.660 20 30 CHEDLP C=CCCCC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244912 1132057933 /nfs/dbraw/zinc/05/79/33/1132057933.db2.gz WOQFIGINXYGXGW-UHFFFAOYSA-N 2 2 269.392 3.660 20 30 CHEDLP C=CCCCCCCC[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209438215 1134020774 /nfs/dbraw/zinc/02/07/74/1134020774.db2.gz HTTWZSRWNXIDOX-UHFFFAOYSA-N 2 2 261.413 3.534 20 30 CHEDLP CCCCCCC/C=C/C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476340 1134224757 /nfs/dbraw/zinc/22/47/57/1134224757.db2.gz VFSFDFDQEPAOSX-ZNFPLGDCSA-N 2 2 252.446 3.587 20 30 CHEDLP CCCCCCC/C=C/C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476340 1134224761 /nfs/dbraw/zinc/22/47/61/1134224761.db2.gz VFSFDFDQEPAOSX-ZNFPLGDCSA-N 2 2 252.446 3.587 20 30 CHEDLP C=CCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312808645 260206152 /nfs/dbraw/zinc/20/61/52/260206152.db2.gz RJBQRVGIJQKGGJ-HNNXBMFYSA-N 2 2 269.392 3.879 20 30 CHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCCC#N)CC1 ZINC000280194709 263059581 /nfs/dbraw/zinc/05/95/81/263059581.db2.gz IJVIVOHUWLVGAJ-UHFFFAOYSA-N 2 2 296.418 3.676 20 30 CHEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000298581014 263222763 /nfs/dbraw/zinc/22/27/63/263222763.db2.gz QYMGXIRKQKECRE-AWEZNQCLSA-N 2 2 296.418 3.674 20 30 CHEDLP C=CCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280269797 264441689 /nfs/dbraw/zinc/44/16/89/264441689.db2.gz QWAKQDXMVBWLCS-UHFFFAOYSA-N 2 2 283.419 3.948 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000282229709 264499726 /nfs/dbraw/zinc/49/97/26/264499726.db2.gz PHRBSHNICYPIHE-AWEZNQCLSA-N 2 2 276.424 3.588 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CC[C@H](C#N)C3)cc2)c1C ZINC000564662015 327248652 /nfs/dbraw/zinc/24/86/52/327248652.db2.gz UYAVNZLNGDNLJD-HOCLYGCPSA-N 2 2 280.375 3.593 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000177913531 329189903 /nfs/dbraw/zinc/18/99/03/329189903.db2.gz VWHOXAQHVCBFAI-CQSZACIVSA-N 2 2 284.403 3.734 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CC)s2)CC1 ZINC000177913904 329189931 /nfs/dbraw/zinc/18/99/31/329189931.db2.gz RTDYWPHZHFBHTF-ZDUSSCGKSA-N 2 2 278.465 3.612 20 30 CHEDLP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000449253722 330910091 /nfs/dbraw/zinc/91/00/91/330910091.db2.gz ZOVDWWANJPQVQB-BARLLCKDSA-N 2 2 299.462 3.740 20 30 CHEDLP C=C(C)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449476895 330928837 /nfs/dbraw/zinc/92/88/37/330928837.db2.gz NWZWVQREDCORAC-UHFFFAOYSA-N 2 2 292.854 3.860 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453098738 331088967 /nfs/dbraw/zinc/08/89/67/331088967.db2.gz KJMSAMSTFCWCID-XJKSGUPXSA-N 2 2 290.476 3.927 20 30 CHEDLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000352296501 534228630 /nfs/dbraw/zinc/22/86/30/534228630.db2.gz FEQIWWMSYRVKFV-IXDOHACOSA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000352296501 534228633 /nfs/dbraw/zinc/22/86/33/534228633.db2.gz FEQIWWMSYRVKFV-IXDOHACOSA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000352296501 534228636 /nfs/dbraw/zinc/22/86/36/534228636.db2.gz FEQIWWMSYRVKFV-IXDOHACOSA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000352296501 534228638 /nfs/dbraw/zinc/22/86/38/534228638.db2.gz FEQIWWMSYRVKFV-IXDOHACOSA-N 2 2 291.483 3.654 20 30 CHEDLP CCCCCCCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001201852842 1123152574 /nfs/dbraw/zinc/15/25/74/1123152574.db2.gz OJSCCMYUDVVMNP-UHFFFAOYSA-N 2 2 265.445 3.956 20 30 CHEDLP CCCCCCCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001201852842 1123152577 /nfs/dbraw/zinc/15/25/77/1123152577.db2.gz OJSCCMYUDVVMNP-UHFFFAOYSA-N 2 2 265.445 3.956 20 30 CHEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000358324541 1127415468 /nfs/dbraw/zinc/41/54/68/1127415468.db2.gz BTTOENZYTPCXFM-BPQIPLTHSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000358324541 1127415471 /nfs/dbraw/zinc/41/54/71/1127415471.db2.gz BTTOENZYTPCXFM-BPQIPLTHSA-N 2 2 272.436 3.624 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602501040 1127583592 /nfs/dbraw/zinc/58/35/92/1127583592.db2.gz CPFHQCLDMFLOES-FUHWJXTLSA-N 2 2 287.451 3.599 20 30 CHEDLP C=CCCCCCCCC[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209442417 1118061301 /nfs/dbraw/zinc/06/13/01/1118061301.db2.gz IBSOGHCBDJIBAJ-UHFFFAOYSA-N 2 2 275.440 3.924 20 30 CHEDLP C=CCCC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657805878 1119433400 /nfs/dbraw/zinc/43/34/00/1119433400.db2.gz VMAGGQMYOLATLX-UHFFFAOYSA-N 2 2 269.392 3.707 20 30 CHEDLP C=CCCC(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657805925 1119434276 /nfs/dbraw/zinc/43/42/76/1119434276.db2.gz XNEHZGAWQVLXPL-UHFFFAOYSA-N 2 2 275.421 3.768 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657875650 1119589423 /nfs/dbraw/zinc/58/94/23/1119589423.db2.gz NOCRNSJDEATPRR-AWEZNQCLSA-N 2 2 299.418 3.519 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cccc(CC)c3o2)CC1 ZINC000657354186 1120439221 /nfs/dbraw/zinc/43/92/21/1120439221.db2.gz ZNTAXZVTJVIBBI-UHFFFAOYSA-N 2 2 298.430 3.735 20 30 CHEDLP C#Cc1ccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)cc1 ZINC001183239546 1122213635 /nfs/dbraw/zinc/21/36/35/1122213635.db2.gz WTLKDJWSCLRGSG-UHFFFAOYSA-N 2 2 296.458 3.508 20 30 CHEDLP CCCCCCCCC[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201838663 1123154146 /nfs/dbraw/zinc/15/41/46/1123154146.db2.gz BJAWQSNXXRUEBO-UHFFFAOYSA-N 2 2 263.429 3.758 20 30 CHEDLP CCCCCCCCC[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201838663 1123154148 /nfs/dbraw/zinc/15/41/48/1123154148.db2.gz BJAWQSNXXRUEBO-UHFFFAOYSA-N 2 2 263.429 3.758 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC(C)C)c2ccoc2)CC1 ZINC000428227619 1123280918 /nfs/dbraw/zinc/28/09/18/1123280918.db2.gz SKUBNRACPDUADH-SFHVURJKSA-N 2 2 290.451 3.997 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447530027 1124480969 /nfs/dbraw/zinc/48/09/69/1124480969.db2.gz MZISVXXUAADXMZ-CQSZACIVSA-N 2 2 276.424 3.588 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449122462 1124651528 /nfs/dbraw/zinc/65/15/28/1124651528.db2.gz LNQCEGBQOZOBOC-QGZVFWFLSA-N 2 2 276.468 3.729 20 30 CHEDLP C=CCC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388447 1125408084 /nfs/dbraw/zinc/40/80/84/1125408084.db2.gz VLVKYSUXKLAIFK-DOTOQJQBSA-N 2 2 269.392 3.569 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236388 1130725738 /nfs/dbraw/zinc/72/57/38/1130725738.db2.gz ZYKXCRPABDOVMI-CVEARBPZSA-N 2 2 252.446 3.563 20 30 CHEDLP CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236388 1130725741 /nfs/dbraw/zinc/72/57/41/1130725741.db2.gz ZYKXCRPABDOVMI-CVEARBPZSA-N 2 2 252.446 3.563 20 30 CHEDLP CC1(C#N)CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001173593526 1132498667 /nfs/dbraw/zinc/49/86/67/1132498667.db2.gz SCNGQVZPUIZPHX-UHFFFAOYSA-N 2 2 294.402 3.654 20 30 CHEDLP C=CCCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209165013 1133984263 /nfs/dbraw/zinc/98/42/63/1133984263.db2.gz MXQLKIWBDNARLG-UHFFFAOYSA-N 2 2 290.426 3.688 20 30 CHEDLP C=CCCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209165013 1133984266 /nfs/dbraw/zinc/98/42/66/1133984266.db2.gz MXQLKIWBDNARLG-UHFFFAOYSA-N 2 2 290.426 3.688 20 30 CHEDLP C=CC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411755391 262706457 /nfs/dbraw/zinc/70/64/57/262706457.db2.gz IWWFIDADKIBECC-UHFFFAOYSA-N 2 2 297.446 3.574 20 30 CHEDLP C=CC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411755391 262706458 /nfs/dbraw/zinc/70/64/58/262706458.db2.gz IWWFIDADKIBECC-UHFFFAOYSA-N 2 2 297.446 3.574 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000177910627 329190276 /nfs/dbraw/zinc/19/02/76/329190276.db2.gz JUPGOBVQZOBEDS-HNAYVOBHSA-N 2 2 284.447 3.865 20 30 CHEDLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(C#N)cc1 ZINC000423273225 330184763 /nfs/dbraw/zinc/18/47/63/330184763.db2.gz ITXZHGANEGNNRL-HNNXBMFYSA-N 2 2 285.435 3.521 20 30 CHEDLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(C#N)c1 ZINC000423275251 330185159 /nfs/dbraw/zinc/18/51/59/330185159.db2.gz LJSRNQYCMZWJEK-HNNXBMFYSA-N 2 2 285.435 3.521 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)CCc2ccccc2)CC1 ZINC000527857511 330288952 /nfs/dbraw/zinc/28/89/52/330288952.db2.gz CHEORJXKTIQTQV-SFHVURJKSA-N 2 2 286.463 3.638 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC(C)C)c2ccoc2)CC1 ZINC000428227618 330516743 /nfs/dbraw/zinc/51/67/43/330516743.db2.gz SKUBNRACPDUADH-GOSISDBHSA-N 2 2 290.451 3.997 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000474711799 331595430 /nfs/dbraw/zinc/59/54/30/331595430.db2.gz SFAGOGNTSNCDNU-HOTGVXAUSA-N 2 2 278.484 3.831 20 30 CHEDLP C=CCCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108933 334072905 /nfs/dbraw/zinc/07/29/05/334072905.db2.gz VFHXZQOZSNXVNG-UHFFFAOYSA-N 2 2 287.451 3.586 20 30 CHEDLP C=CCCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108933 334072907 /nfs/dbraw/zinc/07/29/07/334072907.db2.gz VFHXZQOZSNXVNG-UHFFFAOYSA-N 2 2 287.451 3.586 20 30 CHEDLP C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343502885 335205601 /nfs/dbraw/zinc/20/56/01/335205601.db2.gz KYFLZDHVTUBOQX-GDBMZVCRSA-N 2 2 269.392 3.878 20 30 CHEDLP C=CCCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000577034029 335285869 /nfs/dbraw/zinc/28/58/69/335285869.db2.gz UYFONJRMOHDKAY-INIZCTEOSA-N 2 2 287.451 3.755 20 30 CHEDLP C=CCCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000577034029 335285871 /nfs/dbraw/zinc/28/58/71/335285871.db2.gz UYFONJRMOHDKAY-INIZCTEOSA-N 2 2 287.451 3.755 20 30 CHEDLP CCCCCCCCCC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246616124 1131719646 /nfs/dbraw/zinc/71/96/46/1131719646.db2.gz YHECSQVRRJOWRP-INIZCTEOSA-N 2 2 266.473 3.811 20 30 CHEDLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000886716059 1125712244 /nfs/dbraw/zinc/71/22/44/1125712244.db2.gz NATJRGDKEJDQFA-INIZCTEOSA-N 2 2 297.446 3.570 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450934 1126906478 /nfs/dbraw/zinc/90/64/78/1126906478.db2.gz CZBVJZVBPVHICV-HACGYAERSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450934 1126906482 /nfs/dbraw/zinc/90/64/82/1126906482.db2.gz CZBVJZVBPVHICV-HACGYAERSA-N 2 2 294.389 3.654 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000349788217 1127161204 /nfs/dbraw/zinc/16/12/04/1127161204.db2.gz KSUIXQVWCSXTPI-IBGZPJMESA-N 2 2 298.474 3.921 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718110979 1127189736 /nfs/dbraw/zinc/18/97/36/1127189736.db2.gz GHJOJXLPBZOWDI-VQIMIIECSA-N 2 2 286.463 3.841 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718110979 1127189739 /nfs/dbraw/zinc/18/97/39/1127189739.db2.gz GHJOJXLPBZOWDI-VQIMIIECSA-N 2 2 286.463 3.841 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718110977 1127190046 /nfs/dbraw/zinc/19/00/46/1127190046.db2.gz GHJOJXLPBZOWDI-LPHOPBHVSA-N 2 2 286.463 3.841 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718110977 1127190050 /nfs/dbraw/zinc/19/00/50/1127190050.db2.gz GHJOJXLPBZOWDI-LPHOPBHVSA-N 2 2 286.463 3.841 20 30 CHEDLP C=CCC(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000339415736 1117778072 /nfs/dbraw/zinc/77/80/72/1117778072.db2.gz DNPAUINKCGYHRG-UHFFFAOYSA-N 2 2 275.421 3.626 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657352937 1119022076 /nfs/dbraw/zinc/02/20/76/1119022076.db2.gz OBTHDCCENKQCAW-UHFFFAOYSA-N 2 2 276.468 3.585 20 30 CHEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000661759876 1120974931 /nfs/dbraw/zinc/97/49/31/1120974931.db2.gz KRQGJHRNHIKGLF-UHFFFAOYSA-N 2 2 269.392 3.659 20 30 CHEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000661759876 1120974936 /nfs/dbraw/zinc/97/49/36/1120974936.db2.gz KRQGJHRNHIKGLF-UHFFFAOYSA-N 2 2 269.392 3.659 20 30 CHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924525 1121382868 /nfs/dbraw/zinc/38/28/68/1121382868.db2.gz YUPONOVETRDLMV-BQFCYCMXSA-N 2 2 297.446 3.894 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000439091911 1122753095 /nfs/dbraw/zinc/75/30/95/1122753095.db2.gz XJSMQNMLKSJNAB-ZOBUZTSGSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000439091911 1122753099 /nfs/dbraw/zinc/75/30/99/1122753099.db2.gz XJSMQNMLKSJNAB-ZOBUZTSGSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC001199295881 1123027230 /nfs/dbraw/zinc/02/72/30/1123027230.db2.gz MGCXOKOOQWASHQ-TWMKSMIVSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC001199295881 1123027236 /nfs/dbraw/zinc/02/72/36/1123027236.db2.gz MGCXOKOOQWASHQ-TWMKSMIVSA-N 2 2 264.457 3.584 20 30 CHEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024296 1123460218 /nfs/dbraw/zinc/46/02/18/1123460218.db2.gz DSMFTACDWMLWKT-NBMJBFSESA-N 2 2 299.462 3.710 20 30 CHEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024296 1123460221 /nfs/dbraw/zinc/46/02/21/1123460221.db2.gz DSMFTACDWMLWKT-NBMJBFSESA-N 2 2 299.462 3.710 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227690 1123851496 /nfs/dbraw/zinc/85/14/96/1123851496.db2.gz FWFCSASVSPCQBA-FUHWJXTLSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897227690 1123851499 /nfs/dbraw/zinc/85/14/99/1123851499.db2.gz FWFCSASVSPCQBA-FUHWJXTLSA-N 2 2 296.499 3.578 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000120564481 1123987621 /nfs/dbraw/zinc/98/76/21/1123987621.db2.gz ZKWIBIRXOYIHES-GOSISDBHSA-N 2 2 281.403 3.707 20 30 CHEDLP C=CC(C)(C)CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000872100098 1124682765 /nfs/dbraw/zinc/68/27/65/1124682765.db2.gz HBHAARPOTBCNHR-UHFFFAOYSA-N 2 2 287.451 3.632 20 30 CHEDLP C=CCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258736600 1129682003 /nfs/dbraw/zinc/68/20/03/1129682003.db2.gz XHAMCABBWDNFNE-OAHLLOKOSA-N 2 2 264.457 3.680 20 30 CHEDLP C=CCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258736600 1129682004 /nfs/dbraw/zinc/68/20/04/1129682004.db2.gz XHAMCABBWDNFNE-OAHLLOKOSA-N 2 2 264.457 3.680 20 30 CHEDLP CCCC[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547710 1131520393 /nfs/dbraw/zinc/52/03/93/1131520393.db2.gz RJFDDOGHVABXCW-UHFFFAOYSA-N 2 2 296.418 3.697 20 30 CHEDLP CCCC[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547710 1131520397 /nfs/dbraw/zinc/52/03/97/1131520397.db2.gz RJFDDOGHVABXCW-UHFFFAOYSA-N 2 2 296.418 3.697 20 30 CHEDLP CCCCCCCCC[C@H](C)[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246666857 1131779193 /nfs/dbraw/zinc/77/91/93/1131779193.db2.gz SHGNRKBBOJVERW-BZSNNMDCSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCCCC[C@H](C)[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246666857 1131779198 /nfs/dbraw/zinc/77/91/98/1131779198.db2.gz SHGNRKBBOJVERW-BZSNNMDCSA-N 2 2 296.499 3.578 20 30 CHEDLP N#CCC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141242493 1132056597 /nfs/dbraw/zinc/05/65/97/1132056597.db2.gz XKAFYIMDONHLJP-UHFFFAOYSA-N 2 2 294.402 3.531 20 30 CHEDLP N#CCC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141242493 1132056602 /nfs/dbraw/zinc/05/66/02/1132056602.db2.gz XKAFYIMDONHLJP-UHFFFAOYSA-N 2 2 294.402 3.531 20 30 CHEDLP CC[C@@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973900 1132117299 /nfs/dbraw/zinc/11/72/99/1132117299.db2.gz AVTRMEKWDXNHFG-ROUUACIJSA-N 2 2 299.462 3.711 20 30 CHEDLP CC[C@@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973900 1132117302 /nfs/dbraw/zinc/11/73/02/1132117302.db2.gz AVTRMEKWDXNHFG-ROUUACIJSA-N 2 2 299.462 3.711 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001208178203 1133898195 /nfs/dbraw/zinc/89/81/95/1133898195.db2.gz NDJPLISKIXUWDN-QGZVFWFLSA-N 2 2 285.435 3.823 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001208177139 1133899828 /nfs/dbraw/zinc/89/98/28/1133899828.db2.gz NVRVNBVKYMRRRI-QGZVFWFLSA-N 2 2 276.468 3.705 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001208177139 1133899825 /nfs/dbraw/zinc/89/98/25/1133899825.db2.gz NVRVNBVKYMRRRI-QGZVFWFLSA-N 2 2 276.468 3.705 20 30 CHEDLP C=C(C)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280277810 263060069 /nfs/dbraw/zinc/06/00/69/263060069.db2.gz RWUSAFBVHCHVOZ-UHFFFAOYSA-N 2 2 269.392 3.558 20 30 CHEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340916452 263314381 /nfs/dbraw/zinc/31/43/81/263314381.db2.gz NCZVYMISLNCLQW-OWCLPIDISA-N 2 2 261.413 3.511 20 30 CHEDLP C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340916452 263314382 /nfs/dbraw/zinc/31/43/82/263314382.db2.gz NCZVYMISLNCLQW-OWCLPIDISA-N 2 2 261.413 3.511 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425364424 264137616 /nfs/dbraw/zinc/13/76/16/264137616.db2.gz GJSBBBUDFILLIB-MRXNPFEDSA-N 2 2 293.414 3.887 20 30 CHEDLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425364424 264137617 /nfs/dbraw/zinc/13/76/17/264137617.db2.gz GJSBBBUDFILLIB-MRXNPFEDSA-N 2 2 293.414 3.887 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(C)c2)CC1 ZINC000353501514 266039578 /nfs/dbraw/zinc/03/95/78/266039578.db2.gz IYXPDLMUCDKPHX-GOSISDBHSA-N 2 2 272.436 3.686 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532515146 328785791 /nfs/dbraw/zinc/78/57/91/328785791.db2.gz BEHHAVOAOCWODP-KRWDZBQOSA-N 2 2 290.838 3.567 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000177910447 329189941 /nfs/dbraw/zinc/18/99/41/329189941.db2.gz XEAOYAOYWJBTBF-INIZCTEOSA-N 2 2 272.436 3.604 20 30 CHEDLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000181574535 329234599 /nfs/dbraw/zinc/23/45/99/329234599.db2.gz LQWUZGDGXQHPMZ-GOSISDBHSA-N 2 2 299.462 3.884 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000269675260 330070133 /nfs/dbraw/zinc/07/01/33/330070133.db2.gz HARODCQIRNUHMD-LJQANCHMSA-N 2 2 295.430 3.766 20 30 CHEDLP C=C(Cl)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000272816495 330094750 /nfs/dbraw/zinc/09/47/50/330094750.db2.gz FZSYFQKWPACRAL-UHFFFAOYSA-N 2 2 299.245 3.647 20 30 CHEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945271 330294250 /nfs/dbraw/zinc/29/42/50/330294250.db2.gz FKKDVBUYOULOHV-HNAYVOBHSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945271 330294251 /nfs/dbraw/zinc/29/42/51/330294251.db2.gz FKKDVBUYOULOHV-HNAYVOBHSA-N 2 2 297.446 3.616 20 30 CHEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450674847 330992734 /nfs/dbraw/zinc/99/27/34/330992734.db2.gz CFTPPPWUKAFRSH-AWEZNQCLSA-N 2 2 294.402 3.525 20 30 CHEDLP C=CCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463252296 331344368 /nfs/dbraw/zinc/34/43/68/331344368.db2.gz KMYWJYNGTAQWGQ-UHFFFAOYSA-N 2 2 292.854 3.860 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000134019969 334077523 /nfs/dbraw/zinc/07/75/23/334077523.db2.gz SYQABKNQHQIBMR-UHFFFAOYSA-N 2 2 296.817 3.609 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000793535995 1130565872 /nfs/dbraw/zinc/56/58/72/1130565872.db2.gz USPLBALXRKWJEO-CVEARBPZSA-N 2 2 284.513 3.538 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602502289 1127583778 /nfs/dbraw/zinc/58/37/78/1127583778.db2.gz GLAIZPIONPGDQR-NKELODKYSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602545394 1127590258 /nfs/dbraw/zinc/59/02/58/1127590258.db2.gz NMEWPRPGTMQUGM-JKSUJKDBSA-N 2 2 287.451 3.645 20 30 CHEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949134 1127622458 /nfs/dbraw/zinc/62/24/58/1127622458.db2.gz FJWPRZDMHBNOBY-INIZCTEOSA-N 2 2 297.446 3.570 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(C)ccc2C)CC1 ZINC000623889052 1117951735 /nfs/dbraw/zinc/95/17/35/1117951735.db2.gz BPVGEHQZHOXWDG-IBGZPJMESA-N 2 2 286.463 3.995 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000152929930 1119137277 /nfs/dbraw/zinc/13/72/77/1119137277.db2.gz STQVLNWLXQDYSU-AWEZNQCLSA-N 2 2 276.399 3.517 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657875652 1119589206 /nfs/dbraw/zinc/58/92/06/1119589206.db2.gz NOCRNSJDEATPRR-CQSZACIVSA-N 2 2 299.418 3.519 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000438981308 1122744664 /nfs/dbraw/zinc/74/46/64/1122744664.db2.gz WRYRJFBPYJKFPC-GOSISDBHSA-N 2 2 281.403 3.707 20 30 CHEDLP CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201852729 1123152160 /nfs/dbraw/zinc/15/21/60/1123152160.db2.gz IGQWXOYFCWHXIZ-SJORKVTESA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201852729 1123152163 /nfs/dbraw/zinc/15/21/63/1123152163.db2.gz IGQWXOYFCWHXIZ-SJORKVTESA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201852729 1123152165 /nfs/dbraw/zinc/15/21/65/1123152165.db2.gz IGQWXOYFCWHXIZ-SJORKVTESA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201852729 1123152166 /nfs/dbraw/zinc/15/21/66/1123152166.db2.gz IGQWXOYFCWHXIZ-SJORKVTESA-N 2 2 266.473 3.763 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474707248 1123574896 /nfs/dbraw/zinc/57/48/96/1123574896.db2.gz IVMPJRZSAQBJEX-AEFFLSMTSA-N 2 2 278.484 3.831 20 30 CHEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000449174975 1124660269 /nfs/dbraw/zinc/66/02/69/1124660269.db2.gz ZKKKUUWJKYKCEY-GOEBONIOSA-N 2 2 275.440 3.793 20 30 CHEDLP C=CCCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883217244 1125379157 /nfs/dbraw/zinc/37/91/57/1125379157.db2.gz DZEWDNZTJHXNEM-ZWKOTPCHSA-N 2 2 295.430 3.885 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000793541448 1130566899 /nfs/dbraw/zinc/56/68/99/1130566899.db2.gz NIWSQDHGYHFBDY-DOTOQJQBSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000793541448 1130566905 /nfs/dbraw/zinc/56/69/05/1130566905.db2.gz NIWSQDHGYHFBDY-DOTOQJQBSA-N 2 2 264.457 3.585 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235080015 1130708791 /nfs/dbraw/zinc/70/87/91/1130708791.db2.gz ZYKXCRPABDOVMI-HZPDHXFCSA-N 2 2 252.446 3.563 20 30 CHEDLP CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235080015 1130708796 /nfs/dbraw/zinc/70/87/96/1130708796.db2.gz ZYKXCRPABDOVMI-HZPDHXFCSA-N 2 2 252.446 3.563 20 30 CHEDLP C=CCCCCCCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216106 1130894050 /nfs/dbraw/zinc/89/40/50/1130894050.db2.gz JBIDOYIZJDTWCZ-KRWDZBQOSA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216106 1130894046 /nfs/dbraw/zinc/89/40/46/1130894046.db2.gz JBIDOYIZJDTWCZ-KRWDZBQOSA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360715 1131605174 /nfs/dbraw/zinc/60/51/74/1131605174.db2.gz FFVHIQSSUGWFGK-UHFFFAOYSA-N 2 2 269.392 3.660 20 30 CHEDLP C=CCCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360715 1131605176 /nfs/dbraw/zinc/60/51/76/1131605176.db2.gz FFVHIQSSUGWFGK-UHFFFAOYSA-N 2 2 269.392 3.660 20 30 CHEDLP C[NH+]1C(C)(C)CC([N@H+](CCC#N)C2CCCC2)CC1(C)C ZINC001171636515 1132079667 /nfs/dbraw/zinc/07/96/67/1132079667.db2.gz GTBMVOIVICIZEN-UHFFFAOYSA-N 2 2 291.483 3.796 20 30 CHEDLP C[NH+]1C(C)(C)CC([N@@H+](CCC#N)C2CCCC2)CC1(C)C ZINC001171636515 1132079675 /nfs/dbraw/zinc/07/96/75/1132079675.db2.gz GTBMVOIVICIZEN-UHFFFAOYSA-N 2 2 291.483 3.796 20 30 CHEDLP CCCCCCC[C@@H](CCC)[NH2+]CC1C[NH+](C)C1 ZINC001172507774 1132256174 /nfs/dbraw/zinc/25/61/74/1132256174.db2.gz BJMHTRRMVVRWAZ-MRXNPFEDSA-N 2 2 254.462 3.667 20 30 CHEDLP C#Cc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001231664762 1132342024 /nfs/dbraw/zinc/34/20/24/1132342024.db2.gz WSVYXJKVFJGHOM-UHFFFAOYSA-N 2 2 296.458 3.507 20 30 CHEDLP C#Cc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001231664762 1132342032 /nfs/dbraw/zinc/34/20/32/1132342032.db2.gz WSVYXJKVFJGHOM-UHFFFAOYSA-N 2 2 296.458 3.507 20 30 CHEDLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000352296502 228216267 /nfs/dbraw/zinc/21/62/67/228216267.db2.gz FEQIWWMSYRVKFV-ZACQAIPSSA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000352296502 228216268 /nfs/dbraw/zinc/21/62/68/228216268.db2.gz FEQIWWMSYRVKFV-ZACQAIPSSA-N 2 2 291.483 3.654 20 30 CHEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174266061 261181618 /nfs/dbraw/zinc/18/16/18/261181618.db2.gz WSDBOSQTUQHEMW-GOSISDBHSA-N 2 2 299.462 3.571 20 30 CHEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174266061 261181619 /nfs/dbraw/zinc/18/16/19/261181619.db2.gz WSDBOSQTUQHEMW-GOSISDBHSA-N 2 2 299.462 3.571 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000558466071 327096245 /nfs/dbraw/zinc/09/62/45/327096245.db2.gz JOXVDJIRSCHTAB-JQHSSLGASA-N 2 2 272.436 3.766 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000558466071 327096246 /nfs/dbraw/zinc/09/62/46/327096246.db2.gz JOXVDJIRSCHTAB-JQHSSLGASA-N 2 2 272.436 3.766 20 30 CHEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000559328312 327160311 /nfs/dbraw/zinc/16/03/11/327160311.db2.gz LGRVQNKPHKUYJZ-RBUKOAKNSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CCCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000569426377 327175989 /nfs/dbraw/zinc/17/59/89/327175989.db2.gz SNSUVLKZTMGRBT-UHFFFAOYSA-N 2 2 275.440 3.732 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000152971579 327300970 /nfs/dbraw/zinc/30/09/70/327300970.db2.gz YVUPHBRMFBKXNX-CYBMUJFWSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000177907528 329189875 /nfs/dbraw/zinc/18/98/75/329189875.db2.gz MJXQMSAVJSGPPA-MRXNPFEDSA-N 2 2 288.435 3.533 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000177909419 329189948 /nfs/dbraw/zinc/18/99/48/329189948.db2.gz BSFVPXFHGAVHLI-KRWDZBQOSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000177909567 329189973 /nfs/dbraw/zinc/18/99/73/329189973.db2.gz YQGQVFKXVKACBP-LBPRGKRZSA-N 2 2 296.817 3.780 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000177914421 329189990 /nfs/dbraw/zinc/18/99/90/329189990.db2.gz GMCGMYWBQAMQOI-FQEVSTJZSA-N 2 2 298.474 3.556 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000177912644 329190020 /nfs/dbraw/zinc/19/00/20/329190020.db2.gz QKMDGFRGROPOFY-KRWDZBQOSA-N 2 2 290.838 3.567 20 30 CHEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272959095 330087425 /nfs/dbraw/zinc/08/74/25/330087425.db2.gz VZCRSXUIEROLKB-CQSZACIVSA-N 2 2 292.854 3.859 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1CC)C1CC1 ZINC000423506704 330208711 /nfs/dbraw/zinc/20/87/11/330208711.db2.gz PFROEHSLPHMCMO-ROUUACIJSA-N 2 2 272.436 3.583 20 30 CHEDLP C=CCC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471600052 331512424 /nfs/dbraw/zinc/51/24/24/331512424.db2.gz ZAZCZJDFILCRDH-ZMSDIMECSA-N 2 2 260.425 3.622 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccco1 ZINC000353528157 527446898 /nfs/dbraw/zinc/44/68/98/527446898.db2.gz NRCXIJHHFYVARQ-OAHLLOKOSA-N 2 2 285.391 3.774 20 30 CHEDLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000886716060 1125711726 /nfs/dbraw/zinc/71/17/26/1125711726.db2.gz NATJRGDKEJDQFA-MRXNPFEDSA-N 2 2 297.446 3.570 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000152950977 1126757470 /nfs/dbraw/zinc/75/74/70/1126757470.db2.gz HIWNLWMEEQPCKE-ZDUSSCGKSA-N 2 2 294.389 3.656 20 30 CHEDLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602502288 1127584141 /nfs/dbraw/zinc/58/41/41/1127584141.db2.gz GLAIZPIONPGDQR-KVZIAJEVSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000925182160 1128125021 /nfs/dbraw/zinc/12/50/21/1128125021.db2.gz BJYGRMAUHCKPNS-HUUCEWRRSA-N 2 2 296.418 3.851 20 30 CHEDLP C=CCC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000777610448 1128204573 /nfs/dbraw/zinc/20/45/73/1128204573.db2.gz LCZOJRUOEIMECY-IBGZPJMESA-N 2 2 299.462 3.595 20 30 CHEDLP C=CCCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209441319 1118059943 /nfs/dbraw/zinc/05/99/43/1118059943.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 2 2 264.457 3.682 20 30 CHEDLP C=CCCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209441319 1118059947 /nfs/dbraw/zinc/05/99/47/1118059947.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 2 2 264.457 3.682 20 30 CHEDLP C=CCCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209441319 1118059950 /nfs/dbraw/zinc/05/99/50/1118059950.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 2 2 264.457 3.682 20 30 CHEDLP C=CCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209441319 1118059953 /nfs/dbraw/zinc/05/99/53/1118059953.db2.gz HPGSRMMDCMYFED-SJORKVTESA-N 2 2 264.457 3.682 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000109940835 1118609577 /nfs/dbraw/zinc/60/95/77/1118609577.db2.gz HOUNQOZTSYVEJU-CVEARBPZSA-N 2 2 254.462 3.809 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000109940835 1118609578 /nfs/dbraw/zinc/60/95/78/1118609578.db2.gz HOUNQOZTSYVEJU-CVEARBPZSA-N 2 2 254.462 3.809 20 30 CHEDLP CCCCCCCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236885248 1128923428 /nfs/dbraw/zinc/92/34/28/1128923428.db2.gz BWGUGOBIZJTDIK-INIZCTEOSA-N 2 2 292.467 3.815 20 30 CHEDLP CCCCCCCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236885248 1128923429 /nfs/dbraw/zinc/92/34/29/1128923429.db2.gz BWGUGOBIZJTDIK-INIZCTEOSA-N 2 2 292.467 3.815 20 30 CHEDLP CCC(CC)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181719446 1120679553 /nfs/dbraw/zinc/67/95/53/1120679553.db2.gz HZOJRXZHFOYJCW-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP C=C(C)[C@H]([NH2+]CCC[NH+](CC)CC)c1ccc(F)c(F)c1 ZINC000514192049 1122387252 /nfs/dbraw/zinc/38/72/52/1122387252.db2.gz FXGPLQNVAHUPMF-KRWDZBQOSA-N 2 2 296.405 3.904 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924983610 1122405661 /nfs/dbraw/zinc/40/56/61/1122405661.db2.gz HBSRKWGWVDAVGW-CQSZACIVSA-N 2 2 284.403 3.734 20 30 CHEDLP C=CC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678930025 1130472862 /nfs/dbraw/zinc/47/28/62/1130472862.db2.gz OQGGXVKERYNWDC-WBVHZDCISA-N 2 2 272.436 3.594 20 30 CHEDLP C=CC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678930025 1130472869 /nfs/dbraw/zinc/47/28/69/1130472869.db2.gz OQGGXVKERYNWDC-WBVHZDCISA-N 2 2 272.436 3.594 20 30 CHEDLP C=CCCCCCCC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001206142801 1133663885 /nfs/dbraw/zinc/66/38/85/1133663885.db2.gz OIQQTHZDJAHMEQ-MRXNPFEDSA-N 2 2 252.446 3.587 20 30 CHEDLP C=CCCCCCCC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001206142801 1133663888 /nfs/dbraw/zinc/66/38/88/1133663888.db2.gz OIQQTHZDJAHMEQ-MRXNPFEDSA-N 2 2 252.446 3.587 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC001206777908 1133748549 /nfs/dbraw/zinc/74/85/49/1133748549.db2.gz WSXSUHPIYQNGTQ-HOTGVXAUSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC001206777908 1133748552 /nfs/dbraw/zinc/74/85/52/1133748552.db2.gz WSXSUHPIYQNGTQ-HOTGVXAUSA-N 2 2 252.446 3.585 20 30 CHEDLP CCC[N@H+](CC(C)(C)CCC#N)c1ccc(C[NH3+])cc1 ZINC000194980338 262244276 /nfs/dbraw/zinc/24/42/76/262244276.db2.gz RIGDFSJYHUIABY-UHFFFAOYSA-N 2 2 273.424 3.692 20 30 CHEDLP CCC[N@@H+](CC(C)(C)CCC#N)c1ccc(C[NH3+])cc1 ZINC000194980338 262244278 /nfs/dbraw/zinc/24/42/78/262244278.db2.gz RIGDFSJYHUIABY-UHFFFAOYSA-N 2 2 273.424 3.692 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)c1C ZINC000291235294 263120841 /nfs/dbraw/zinc/12/08/41/263120841.db2.gz KTYYKRNQMVMECO-NVXWUHKLSA-N 2 2 294.402 3.983 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)c1C ZINC000291235290 263121022 /nfs/dbraw/zinc/12/10/22/263121022.db2.gz KTYYKRNQMVMECO-DOTOQJQBSA-N 2 2 294.402 3.983 20 30 CHEDLP C=CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccs1 ZINC000356838667 266184711 /nfs/dbraw/zinc/18/47/11/266184711.db2.gz DNYPXHLHTQIKTC-OAHLLOKOSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccs1 ZINC000356838667 266184713 /nfs/dbraw/zinc/18/47/13/266184713.db2.gz DNYPXHLHTQIKTC-OAHLLOKOSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000356838667 266184717 /nfs/dbraw/zinc/18/47/17/266184717.db2.gz DNYPXHLHTQIKTC-OAHLLOKOSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccs1 ZINC000356838667 266184721 /nfs/dbraw/zinc/18/47/21/266184721.db2.gz DNYPXHLHTQIKTC-OAHLLOKOSA-N 2 2 278.465 3.611 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000177913134 329189776 /nfs/dbraw/zinc/18/97/76/329189776.db2.gz RZQPJSAQWDJQQQ-HNNXBMFYSA-N 2 2 295.430 3.536 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000177905193 329189808 /nfs/dbraw/zinc/18/98/08/329189808.db2.gz KFZUTGQBBGNAFZ-MRXNPFEDSA-N 2 2 286.463 3.593 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000177909197 329189966 /nfs/dbraw/zinc/18/99/66/329189966.db2.gz YZZJTZZASUCULI-ZDUSSCGKSA-N 2 2 278.827 3.641 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000177910600 329190359 /nfs/dbraw/zinc/19/03/59/329190359.db2.gz JUPGOBVQZOBEDS-KXBFYZLASA-N 2 2 284.447 3.865 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189169171 329377566 /nfs/dbraw/zinc/37/75/66/329377566.db2.gz CVNXEMQTTUQYOY-QUCCMNQESA-N 2 2 298.474 3.638 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271618508 330081664 /nfs/dbraw/zinc/08/16/64/330081664.db2.gz BKBVUWODSGXUOO-SFHVURJKSA-N 2 2 288.410 3.517 20 30 CHEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000423245611 330181877 /nfs/dbraw/zinc/18/18/77/330181877.db2.gz OYDKAJXGRYHJMT-JLAWEPINSA-N 2 2 299.462 3.872 20 30 CHEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000449174977 330903720 /nfs/dbraw/zinc/90/37/20/330903720.db2.gz ZKKKUUWJKYKCEY-HOCLYGCPSA-N 2 2 275.440 3.793 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000177913727 333065514 /nfs/dbraw/zinc/06/55/14/333065514.db2.gz ZPYFKVVMJGNVSF-KRWDZBQOSA-N 2 2 286.463 3.913 20 30 CHEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000521278093 333117014 /nfs/dbraw/zinc/11/70/14/333117014.db2.gz FHBQMYMAPREZEN-UHFFFAOYSA-N 2 2 292.389 3.595 20 30 CHEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248844818 334319554 /nfs/dbraw/zinc/31/95/54/334319554.db2.gz ODIYMQIWIVEITD-NZSAHSFTSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000265484015 526036855 /nfs/dbraw/zinc/03/68/55/526036855.db2.gz MIAQFCJBZOWMHI-INIZCTEOSA-N 2 2 297.446 3.570 20 30 CHEDLP C=CCCCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191606 1135206392 /nfs/dbraw/zinc/20/63/92/1135206392.db2.gz NSWOVHUFXYVOLV-KRWDZBQOSA-N 2 2 264.457 3.731 20 30 CHEDLP C=CCCCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191606 1135206395 /nfs/dbraw/zinc/20/63/95/1135206395.db2.gz NSWOVHUFXYVOLV-KRWDZBQOSA-N 2 2 264.457 3.731 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183260429 1126883987 /nfs/dbraw/zinc/88/39/87/1126883987.db2.gz DPWXANBOAUOCSI-CYBMUJFWSA-N 2 2 294.389 3.656 20 30 CHEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827482 1126903270 /nfs/dbraw/zinc/90/32/70/1126903270.db2.gz AUCZOFNQWWTKMJ-RYRKJORJSA-N 2 2 299.462 3.788 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000286379646 1127267414 /nfs/dbraw/zinc/26/74/14/1127267414.db2.gz ZZDPLSLYUASRIA-QGZVFWFLSA-N 2 2 288.435 3.751 20 30 CHEDLP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361694761 1127582496 /nfs/dbraw/zinc/58/24/96/1127582496.db2.gz ZSLKRONJWNWOMZ-UHFFFAOYSA-N 2 2 269.392 3.579 20 30 CHEDLP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361694761 1127582498 /nfs/dbraw/zinc/58/24/98/1127582498.db2.gz ZSLKRONJWNWOMZ-UHFFFAOYSA-N 2 2 269.392 3.579 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000602545392 1127589936 /nfs/dbraw/zinc/58/99/36/1127589936.db2.gz NMEWPRPGTMQUGM-HOTGVXAUSA-N 2 2 287.451 3.645 20 30 CHEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602545371 1127590040 /nfs/dbraw/zinc/59/00/40/1127590040.db2.gz MVZXTWLINUCNMH-KLHKWILBSA-N 2 2 299.462 3.788 20 30 CHEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948600 1127622185 /nfs/dbraw/zinc/62/21/85/1127622185.db2.gz BGHJSIYMERIJQF-INIZCTEOSA-N 2 2 297.446 3.570 20 30 CHEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000374575739 1127904587 /nfs/dbraw/zinc/90/45/87/1127904587.db2.gz MZGRJYGLMJFFTG-HZPDHXFCSA-N 2 2 275.440 3.793 20 30 CHEDLP C=CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209163370 1118007244 /nfs/dbraw/zinc/00/72/44/1118007244.db2.gz DDPGLFFNCWJNGC-UHFFFAOYSA-N 2 2 290.426 3.688 20 30 CHEDLP C=CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209163370 1118007248 /nfs/dbraw/zinc/00/72/48/1118007248.db2.gz DDPGLFFNCWJNGC-UHFFFAOYSA-N 2 2 290.426 3.688 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209441830 1118061345 /nfs/dbraw/zinc/06/13/45/1118061345.db2.gz KOZKDGACWXURGP-IRXDYDNUSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209441830 1118061349 /nfs/dbraw/zinc/06/13/49/1118061349.db2.gz KOZKDGACWXURGP-IRXDYDNUSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209441830 1118061354 /nfs/dbraw/zinc/06/13/54/1118061354.db2.gz KOZKDGACWXURGP-IRXDYDNUSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209441830 1118061360 /nfs/dbraw/zinc/06/13/60/1118061360.db2.gz KOZKDGACWXURGP-IRXDYDNUSA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209441832 1118061453 /nfs/dbraw/zinc/06/14/53/1118061453.db2.gz KOZKDGACWXURGP-SJORKVTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209441832 1118061459 /nfs/dbraw/zinc/06/14/59/1118061459.db2.gz KOZKDGACWXURGP-SJORKVTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209441832 1118061462 /nfs/dbraw/zinc/06/14/62/1118061462.db2.gz KOZKDGACWXURGP-SJORKVTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209441832 1118061466 /nfs/dbraw/zinc/06/14/66/1118061466.db2.gz KOZKDGACWXURGP-SJORKVTESA-N 2 2 264.457 3.539 20 30 CHEDLP C=CCCC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000631679847 1129020898 /nfs/dbraw/zinc/02/08/98/1129020898.db2.gz KFGANDDDLFTIMC-UHFFFAOYSA-N 2 2 287.451 3.632 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1CC)C1CC1 ZINC000438986732 1122745435 /nfs/dbraw/zinc/74/54/35/1122745435.db2.gz RIQOJNQXCMZEEC-DLBZAZTESA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1CC)C1CC1 ZINC000438986732 1122745438 /nfs/dbraw/zinc/74/54/38/1122745438.db2.gz RIQOJNQXCMZEEC-DLBZAZTESA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197264839 1122950200 /nfs/dbraw/zinc/95/02/00/1122950200.db2.gz OIXOTSQWDTYRKP-GOSISDBHSA-N 2 2 283.419 3.960 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC001199295879 1123027186 /nfs/dbraw/zinc/02/71/86/1123027186.db2.gz MGCXOKOOQWASHQ-HZMVEIRTSA-N 2 2 264.457 3.584 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC001199295879 1123027191 /nfs/dbraw/zinc/02/71/91/1123027191.db2.gz MGCXOKOOQWASHQ-HZMVEIRTSA-N 2 2 264.457 3.584 20 30 CHEDLP CCCCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201852728 1123152502 /nfs/dbraw/zinc/15/25/02/1123152502.db2.gz IGQWXOYFCWHXIZ-IRXDYDNUSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201852728 1123152503 /nfs/dbraw/zinc/15/25/03/1123152503.db2.gz IGQWXOYFCWHXIZ-IRXDYDNUSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201852728 1123152504 /nfs/dbraw/zinc/15/25/04/1123152504.db2.gz IGQWXOYFCWHXIZ-IRXDYDNUSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201852728 1123152505 /nfs/dbraw/zinc/15/25/05/1123152505.db2.gz IGQWXOYFCWHXIZ-IRXDYDNUSA-N 2 2 266.473 3.763 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000474711800 1123574351 /nfs/dbraw/zinc/57/43/51/1123574351.db2.gz SFAGOGNTSNCDNU-HZPDHXFCSA-N 2 2 278.484 3.831 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)C2CCCC2)CC1 ZINC000449122072 1124652025 /nfs/dbraw/zinc/65/20/25/1124652025.db2.gz KHFWSMSVQFXNEU-QGZVFWFLSA-N 2 2 264.457 3.585 20 30 CHEDLP CCCCCCC/C=C/C[NH+]1CCC([NH2+]CC)CC1 ZINC001235724758 1130773077 /nfs/dbraw/zinc/77/30/77/1130773077.db2.gz HNJGJFUHKMCKQX-ZHACJKMWSA-N 2 2 266.473 3.977 20 30 CHEDLP C[NH+](C)C1CCC(/[NH+]=C\c2c(O)ccc3ccccc32)CC1 ZINC000817708445 1131177092 /nfs/dbraw/zinc/17/70/92/1131177092.db2.gz XWPJYNZJYADYDI-MOSHPQCFSA-N 2 2 296.414 3.837 20 30 CHEDLP N#CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC001139360000 1131605370 /nfs/dbraw/zinc/60/53/70/1131605370.db2.gz DPBWAFWJFBJZGM-UHFFFAOYSA-N 2 2 294.402 3.531 20 30 CHEDLP N#CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC001139360000 1131605373 /nfs/dbraw/zinc/60/53/73/1131605373.db2.gz DPBWAFWJFBJZGM-UHFFFAOYSA-N 2 2 294.402 3.531 20 30 CHEDLP CCCC[N@H+](CC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292362 1133789519 /nfs/dbraw/zinc/78/95/19/1133789519.db2.gz PRYMAZMTTIPHTO-UHFFFAOYSA-N 2 2 299.462 3.524 20 30 CHEDLP CCCC[N@@H+](CC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292362 1133789525 /nfs/dbraw/zinc/78/95/25/1133789525.db2.gz PRYMAZMTTIPHTO-UHFFFAOYSA-N 2 2 299.462 3.524 20 30 CHEDLP CCCCCCC/C=C/C[NH+]1CCC([NH+](C)C)CC1 ZINC001208119759 1133880544 /nfs/dbraw/zinc/88/05/44/1133880544.db2.gz GRJDPNUSCTXRDP-ZHACJKMWSA-N 2 2 266.473 3.929 20 30 CHEDLP C=CCCCC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209208211 1133989606 /nfs/dbraw/zinc/98/96/06/1133989606.db2.gz NGTCZPXZLKBRBD-UHFFFAOYSA-N 2 2 264.457 3.682 20 30 CHEDLP C=CCCCC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209208211 1133989609 /nfs/dbraw/zinc/98/96/09/1133989609.db2.gz NGTCZPXZLKBRBD-UHFFFAOYSA-N 2 2 264.457 3.682 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191765 1135205839 /nfs/dbraw/zinc/20/58/39/1135205839.db2.gz ORTXUXWYXJHNLX-KRWDZBQOSA-N 2 2 266.473 3.955 20 30 CHEDLP CCCCCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191765 1135205842 /nfs/dbraw/zinc/20/58/42/1135205842.db2.gz ORTXUXWYXJHNLX-KRWDZBQOSA-N 2 2 266.473 3.955 20 30 CHEDLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000352296500 228216208 /nfs/dbraw/zinc/21/62/08/228216208.db2.gz FEQIWWMSYRVKFV-BRWVUGGUSA-N 2 2 291.483 3.654 20 30 CHEDLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000352296500 228216209 /nfs/dbraw/zinc/21/62/09/228216209.db2.gz FEQIWWMSYRVKFV-BRWVUGGUSA-N 2 2 291.483 3.654 20 30 CHEDLP C#CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000290558091 264776998 /nfs/dbraw/zinc/77/69/98/264776998.db2.gz ZLFKNVACTBPABT-LJQANCHMSA-N 2 2 278.399 3.677 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173398141 329147612 /nfs/dbraw/zinc/14/76/12/329147612.db2.gz OTIQDPFICHPHOU-AWEZNQCLSA-N 2 2 290.476 3.710 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000177905517 329189871 /nfs/dbraw/zinc/18/98/71/329189871.db2.gz OYMSIUCXDWMTDM-CYBMUJFWSA-N 2 2 278.465 3.666 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000177913271 329189883 /nfs/dbraw/zinc/18/98/83/329189883.db2.gz QPHUEDKJIRWAQW-HXUWFJFHSA-N 2 2 298.474 3.556 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC000177912099 329189890 /nfs/dbraw/zinc/18/98/90/329189890.db2.gz KZPJMZWCBOEVPR-QGZVFWFLSA-N 2 2 276.399 3.517 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cc(F)ccc2F)CC1 ZINC000177907172 329189981 /nfs/dbraw/zinc/18/99/81/329189981.db2.gz XURCPIANQKQIAB-KRWDZBQOSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000177911626 329190326 /nfs/dbraw/zinc/19/03/26/329190326.db2.gz HRXXGPNXPJXYLP-LJQANCHMSA-N 2 2 284.447 3.694 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275615117 330110878 /nfs/dbraw/zinc/11/08/78/330110878.db2.gz RKQXEPVXPUTXRK-MJGOQNOKSA-N 2 2 284.447 3.563 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC=C)CC1)c1ccco1 ZINC000276383772 330113132 /nfs/dbraw/zinc/11/31/32/330113132.db2.gz AAPZSHDEBIZDOG-MRXNPFEDSA-N 2 2 274.408 3.527 20 30 CHEDLP N#CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423001094 330163762 /nfs/dbraw/zinc/16/37/62/330163762.db2.gz WLMSTQGLYNKEPB-GBESFXJTSA-N 2 2 291.398 3.766 20 30 CHEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423250075 330182537 /nfs/dbraw/zinc/18/25/37/330182537.db2.gz UMPWQXXFQZJRNL-JKSUJKDBSA-N 2 2 270.376 3.577 20 30 CHEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423362179 330194011 /nfs/dbraw/zinc/19/40/11/330194011.db2.gz AYEPEGBFCRBWLE-ZMYBRWDISA-N 2 2 293.414 3.512 20 30 CHEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000527884931 330291747 /nfs/dbraw/zinc/29/17/47/330291747.db2.gz ZYDLCUAGPUOYGM-UHFFFAOYSA-N 2 2 281.403 3.687 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000120490811 330388862 /nfs/dbraw/zinc/38/88/62/330388862.db2.gz GLWZOYJXODHYSB-KRWDZBQOSA-N 2 2 299.393 3.846 20 30 CHEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000449174973 330903674 /nfs/dbraw/zinc/90/36/74/330903674.db2.gz ZKKKUUWJKYKCEY-GDBMZVCRSA-N 2 2 275.440 3.793 20 30 CHEDLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000248819042 334318233 /nfs/dbraw/zinc/31/82/33/334318233.db2.gz LEBCIPJIOGYQHK-NEWSRXKRSA-N 2 2 299.462 3.524 20 30 CHEDLP C=CCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000380946410 336040424 /nfs/dbraw/zinc/04/04/24/336040424.db2.gz OZQKADSLIHQRSX-AEFFLSMTSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000380946410 336040425 /nfs/dbraw/zinc/04/04/25/336040425.db2.gz OZQKADSLIHQRSX-AEFFLSMTSA-N 2 2 272.436 3.595 20 30 CHEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217241 534110025 /nfs/dbraw/zinc/11/00/25/534110025.db2.gz QSMPAZFLTRUMPO-WMZOPIPTSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217241 534110030 /nfs/dbraw/zinc/11/00/30/534110030.db2.gz QSMPAZFLTRUMPO-WMZOPIPTSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000091334247 1125749486 /nfs/dbraw/zinc/74/94/86/1125749486.db2.gz RRXSMTPQGCBNKJ-GOSISDBHSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000091334246 1125749920 /nfs/dbraw/zinc/74/99/20/1125749920.db2.gz RRXSMTPQGCBNKJ-SFHVURJKSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CCC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000358324545 1127415732 /nfs/dbraw/zinc/41/57/32/1127415732.db2.gz BTTOENZYTPCXFM-SZMVWBNQSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CCC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000358324545 1127415735 /nfs/dbraw/zinc/41/57/35/1127415735.db2.gz BTTOENZYTPCXFM-SZMVWBNQSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CC)CC2)CC1 ZINC000657351882 1119020163 /nfs/dbraw/zinc/02/01/63/1119020163.db2.gz AWDVMMYXILAQOD-CVEARBPZSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000651673691 1120707692 /nfs/dbraw/zinc/70/76/92/1120707692.db2.gz TYIMGHQRFKTJOF-QFBILLFUSA-N 2 2 295.430 3.766 20 30 CHEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000662089554 1120874038 /nfs/dbraw/zinc/87/40/38/1120874038.db2.gz CLXZJAIANUNPAJ-KDURUIRLSA-N 2 2 293.414 3.864 20 30 CHEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000662089554 1120874043 /nfs/dbraw/zinc/87/40/43/1120874043.db2.gz CLXZJAIANUNPAJ-KDURUIRLSA-N 2 2 293.414 3.864 20 30 CHEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924528 1121383557 /nfs/dbraw/zinc/38/35/57/1121383557.db2.gz YUPONOVETRDLMV-XYJFISCASA-N 2 2 297.446 3.894 20 30 CHEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675924526 1121383655 /nfs/dbraw/zinc/38/36/55/1121383655.db2.gz YUPONOVETRDLMV-JZXOWHBKSA-N 2 2 297.446 3.894 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000924985683 1122418903 /nfs/dbraw/zinc/41/89/03/1122418903.db2.gz IUEOKKNLHDZBBE-IBGZPJMESA-N 2 2 299.462 3.553 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187977236 1123001859 /nfs/dbraw/zinc/00/18/59/1123001859.db2.gz TWKCKMRFSXUKEU-PMACEKPBSA-N 2 2 298.474 3.737 20 30 CHEDLP CCCCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201797971 1123150158 /nfs/dbraw/zinc/15/01/58/1123150158.db2.gz JNMBPOIHKIYNOE-INIZCTEOSA-N 2 2 276.424 3.814 20 30 CHEDLP CCCCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201797971 1123150160 /nfs/dbraw/zinc/15/01/60/1123150160.db2.gz JNMBPOIHKIYNOE-INIZCTEOSA-N 2 2 276.424 3.814 20 30 CHEDLP C=CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678929822 1130473158 /nfs/dbraw/zinc/47/31/58/1130473158.db2.gz OQGGXVKERYNWDC-DOTOQJQBSA-N 2 2 272.436 3.594 20 30 CHEDLP C=CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678929822 1130473164 /nfs/dbraw/zinc/47/31/64/1130473164.db2.gz OQGGXVKERYNWDC-DOTOQJQBSA-N 2 2 272.436 3.594 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038616 1130705601 /nfs/dbraw/zinc/70/56/01/1130705601.db2.gz OTOXLQADHUYHDC-DLBZAZTESA-N 2 2 266.473 3.953 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038616 1130705608 /nfs/dbraw/zinc/70/56/08/1130705608.db2.gz OTOXLQADHUYHDC-DLBZAZTESA-N 2 2 266.473 3.953 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235076990 1130709320 /nfs/dbraw/zinc/70/93/20/1130709320.db2.gz OTOXLQADHUYHDC-IAGOWNOFSA-N 2 2 266.473 3.953 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235076990 1130709324 /nfs/dbraw/zinc/70/93/24/1130709324.db2.gz OTOXLQADHUYHDC-IAGOWNOFSA-N 2 2 266.473 3.953 20 30 CHEDLP N#CCC[N@H+](CC[C@@H]1CCCC[NH2+]1)C1CCCCCCC1 ZINC001235664415 1130764095 /nfs/dbraw/zinc/76/40/95/1130764095.db2.gz SQZXNKTVLMRFPG-KRWDZBQOSA-N 2 2 291.483 3.847 20 30 CHEDLP N#CCC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C1CCCCCCC1 ZINC001235664415 1130764101 /nfs/dbraw/zinc/76/41/01/1130764101.db2.gz SQZXNKTVLMRFPG-KRWDZBQOSA-N 2 2 291.483 3.847 20 30 CHEDLP CCCCCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235928489 1130808683 /nfs/dbraw/zinc/80/86/83/1130808683.db2.gz WPELIMGFUDSASQ-UHFFFAOYSA-N 2 2 296.499 3.580 20 30 CHEDLP CCCCCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235928489 1130808687 /nfs/dbraw/zinc/80/86/87/1130808687.db2.gz WPELIMGFUDSASQ-UHFFFAOYSA-N 2 2 296.499 3.580 20 30 CHEDLP CCCCCCC[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC001172361847 1132189764 /nfs/dbraw/zinc/18/97/64/1132189764.db2.gz PONUPLZMEWTOIK-OAHLLOKOSA-N 2 2 251.418 3.612 20 30 CHEDLP CCCCCCC[C@@H](CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172508692 1132257191 /nfs/dbraw/zinc/25/71/91/1132257191.db2.gz MTTFMKYAFHLKPX-QGZVFWFLSA-N 2 2 298.515 3.562 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1NCC1CC[NH+](C(C)C)CC1 ZINC001166602883 1133274298 /nfs/dbraw/zinc/27/42/98/1133274298.db2.gz AATDDZKFMIBQJL-UHFFFAOYSA-N 2 2 287.451 3.651 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895563 1133627557 /nfs/dbraw/zinc/62/75/57/1133627557.db2.gz JDKDEVKJEAEIIT-HZPDHXFCSA-N 2 2 272.452 3.888 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895563 1133627559 /nfs/dbraw/zinc/62/75/59/1133627559.db2.gz JDKDEVKJEAEIIT-HZPDHXFCSA-N 2 2 272.452 3.888 20 30 CHEDLP C=CCC[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001205981097 1133638087 /nfs/dbraw/zinc/63/80/87/1133638087.db2.gz WKPSEOPDKQVJPJ-ZDUSSCGKSA-N 2 2 289.810 3.970 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(C)c2)CC1 ZINC000353501520 266039599 /nfs/dbraw/zinc/03/95/99/266039599.db2.gz IYXPDLMUCDKPHX-SFHVURJKSA-N 2 2 272.436 3.686 20 30 CHEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000559328310 327160334 /nfs/dbraw/zinc/16/03/34/327160334.db2.gz LGRVQNKPHKUYJZ-MOPGFXCFSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000177905536 329189954 /nfs/dbraw/zinc/18/99/54/329189954.db2.gz OYMSIUCXDWMTDM-ZDUSSCGKSA-N 2 2 278.465 3.666 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000177911890 329189959 /nfs/dbraw/zinc/18/99/59/329189959.db2.gz WJBAWITWBDJRII-CYBMUJFWSA-N 2 2 278.827 3.641 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2ccccc2)CC1 ZINC000177904337 329190166 /nfs/dbraw/zinc/19/01/66/329190166.db2.gz CLQXUFQBJVCSTO-SFHVURJKSA-N 2 2 272.436 3.768 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C)cc2)CC1 ZINC000177905555 329190247 /nfs/dbraw/zinc/19/02/47/329190247.db2.gz SGENHZKPPYTPRJ-SFHVURJKSA-N 2 2 272.436 3.686 20 30 CHEDLP C=C(Cl)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000271462188 330080081 /nfs/dbraw/zinc/08/00/81/330080081.db2.gz HTZYJVWHPOOSTO-GFCCVEGCSA-N 2 2 275.783 3.584 20 30 CHEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945263 330294154 /nfs/dbraw/zinc/29/41/54/330294154.db2.gz FKKDVBUYOULOHV-BEFAXECRSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945263 330294155 /nfs/dbraw/zinc/29/41/55/330294155.db2.gz FKKDVBUYOULOHV-BEFAXECRSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248706381 334314178 /nfs/dbraw/zinc/31/41/78/334314178.db2.gz AUCZOFNQWWTKMJ-JZXOWHBKSA-N 2 2 299.462 3.788 20 30 CHEDLP CCC(CC)C[N@@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000353626168 528750946 /nfs/dbraw/zinc/75/09/46/528750946.db2.gz PWTKUYRYJZMFLX-UHFFFAOYSA-N 2 2 287.451 3.975 20 30 CHEDLP CCC(CC)C[N@H+](CCC#N)CCCc1ccc(C)[nH+]c1 ZINC000353626168 528750952 /nfs/dbraw/zinc/75/09/52/528750952.db2.gz PWTKUYRYJZMFLX-UHFFFAOYSA-N 2 2 287.451 3.975 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccco1 ZINC000476003243 1125732073 /nfs/dbraw/zinc/73/20/73/1125732073.db2.gz NAYGAZBBSQQPDR-MRXNPFEDSA-N 2 2 276.424 3.751 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091334222 1125749966 /nfs/dbraw/zinc/74/99/66/1125749966.db2.gz OTSYECKUAVNGOD-IBGZPJMESA-N 2 2 284.447 3.686 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2F)CC1 ZINC000180489438 1126844422 /nfs/dbraw/zinc/84/44/22/1126844422.db2.gz BQEYVUYZCIADCD-QGZVFWFLSA-N 2 2 276.399 3.517 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193092896 1126966399 /nfs/dbraw/zinc/96/63/99/1126966399.db2.gz SIRHSFGGLCLNQO-UHFFFAOYSA-N 2 2 284.856 3.532 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000602545393 1127590025 /nfs/dbraw/zinc/59/00/25/1127590025.db2.gz NMEWPRPGTMQUGM-HZPDHXFCSA-N 2 2 287.451 3.645 20 30 CHEDLP CCC[C@H](C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693346 1127661183 /nfs/dbraw/zinc/66/11/83/1127661183.db2.gz VMWFDYRIPAEAAF-INIZCTEOSA-N 2 2 299.462 3.548 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655711195 1118190244 /nfs/dbraw/zinc/19/02/44/1118190244.db2.gz GGQJUZJDNPQSND-GOSISDBHSA-N 2 2 284.447 3.531 20 30 CHEDLP C=CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000684110644 1118522595 /nfs/dbraw/zinc/52/25/95/1118522595.db2.gz QBJHCPYFCLOUBN-KRWDZBQOSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000684110644 1118522598 /nfs/dbraw/zinc/52/25/98/1118522598.db2.gz QBJHCPYFCLOUBN-KRWDZBQOSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657836629 1119488513 /nfs/dbraw/zinc/48/85/13/1119488513.db2.gz MPPKJJNPZMOHCX-AEFFLSMTSA-N 2 2 299.462 3.775 20 30 CHEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657836640 1119488529 /nfs/dbraw/zinc/48/85/29/1119488529.db2.gz MPPKJJNPZMOHCX-WMZOPIPTSA-N 2 2 299.462 3.775 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000695858744 1120531219 /nfs/dbraw/zinc/53/12/19/1120531219.db2.gz JGFLDQZQQWUJKT-WMZOPIPTSA-N 2 2 299.462 3.569 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000695858744 1120531224 /nfs/dbraw/zinc/53/12/24/1120531224.db2.gz JGFLDQZQQWUJKT-WMZOPIPTSA-N 2 2 299.462 3.569 20 30 CHEDLP CCCCCCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246093680 1131305916 /nfs/dbraw/zinc/30/59/16/1131305916.db2.gz WFYMKPFJUJEWFU-PMPSAXMXSA-N 2 2 272.452 3.805 20 30 CHEDLP N#CCC[N@H+](CC[C@H]1CCCC[NH2+]1)C1CCCCCCC1 ZINC001235664421 1130764720 /nfs/dbraw/zinc/76/47/20/1130764720.db2.gz SQZXNKTVLMRFPG-QGZVFWFLSA-N 2 2 291.483 3.847 20 30 CHEDLP N#CCC[N@@H+](CC[C@H]1CCCC[NH2+]1)C1CCCCCCC1 ZINC001235664421 1130764724 /nfs/dbraw/zinc/76/47/24/1130764724.db2.gz SQZXNKTVLMRFPG-QGZVFWFLSA-N 2 2 291.483 3.847 20 30 CHEDLP C=CCCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236390684 1130925798 /nfs/dbraw/zinc/92/57/98/1130925798.db2.gz ZFGKDGKRZWLPLZ-SFHVURJKSA-N 2 2 290.426 3.736 20 30 CHEDLP C=CCCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236390684 1130925801 /nfs/dbraw/zinc/92/58/01/1130925801.db2.gz ZFGKDGKRZWLPLZ-SFHVURJKSA-N 2 2 290.426 3.736 20 30 CHEDLP C=CCCCC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236392703 1130926940 /nfs/dbraw/zinc/92/69/40/1130926940.db2.gz JJWQDWJUFZYYKR-GOSISDBHSA-N 2 2 290.426 3.736 20 30 CHEDLP C=CCCCC[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236392703 1130926944 /nfs/dbraw/zinc/92/69/44/1130926944.db2.gz JJWQDWJUFZYYKR-GOSISDBHSA-N 2 2 290.426 3.736 20 30 CHEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000815651721 1131018125 /nfs/dbraw/zinc/01/81/25/1131018125.db2.gz BFRWZUWXPFEFHQ-INIZCTEOSA-N 2 2 296.414 3.552 20 30 CHEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000815651721 1131018132 /nfs/dbraw/zinc/01/81/32/1131018132.db2.gz BFRWZUWXPFEFHQ-INIZCTEOSA-N 2 2 296.414 3.552 20 30 CHEDLP CCCC[N@H+](CCC#N)Cc1ccccc1-n1cc[nH+]c1C ZINC001140025275 1131657282 /nfs/dbraw/zinc/65/72/82/1131657282.db2.gz NNTCAOJYJZSAHV-UHFFFAOYSA-N 2 2 296.418 3.697 20 30 CHEDLP CCCC[N@@H+](CCC#N)Cc1ccccc1-n1cc[nH+]c1C ZINC001140025275 1131657285 /nfs/dbraw/zinc/65/72/85/1131657285.db2.gz NNTCAOJYJZSAHV-UHFFFAOYSA-N 2 2 296.418 3.697 20 30 CHEDLP CCCCCCC[C@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001172347736 1132181776 /nfs/dbraw/zinc/18/17/76/1132181776.db2.gz YUJVBJUQKUQWMI-AWEZNQCLSA-N 2 2 251.418 3.696 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763753 1133846630 /nfs/dbraw/zinc/84/66/30/1133846630.db2.gz UEUQHLWVIIJNAR-INIZCTEOSA-N 2 2 266.473 3.833 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763753 1133846634 /nfs/dbraw/zinc/84/66/34/1133846634.db2.gz UEUQHLWVIIJNAR-INIZCTEOSA-N 2 2 266.473 3.833 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000179421060 260048206 /nfs/dbraw/zinc/04/82/06/260048206.db2.gz YYEOFEBGHZMNAN-QAPCUYQASA-N 2 2 284.447 3.783 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000177911881 329189921 /nfs/dbraw/zinc/18/99/21/329189921.db2.gz WJBAWITWBDJRII-ZDUSSCGKSA-N 2 2 278.827 3.641 20 30 CHEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000559328313 327160359 /nfs/dbraw/zinc/16/03/59/327160359.db2.gz LGRVQNKPHKUYJZ-RTBURBONSA-N 2 2 299.462 3.548 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CC[C@@H](C#N)C3)cc2)c1C ZINC000564662016 327248635 /nfs/dbraw/zinc/24/86/35/327248635.db2.gz UYAVNZLNGDNLJD-ZBFHGGJFSA-N 2 2 280.375 3.593 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(F)ccc2F)CC1 ZINC000177907182 329189886 /nfs/dbraw/zinc/18/98/86/329189886.db2.gz XURCPIANQKQIAB-QGZVFWFLSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)c1ccco1 ZINC000276458181 330113501 /nfs/dbraw/zinc/11/35/01/330113501.db2.gz NKDMTMXJTZKQTP-QGZVFWFLSA-N 2 2 288.435 3.917 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000527860795 330289394 /nfs/dbraw/zinc/28/93/94/330289394.db2.gz XYXOLIAZHKOLIL-IBGZPJMESA-N 2 2 286.463 3.932 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000120542918 330389380 /nfs/dbraw/zinc/38/93/80/330389380.db2.gz DMYTWBXATOSEBO-OAHLLOKOSA-N 2 2 283.419 3.830 20 30 CHEDLP C=CCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000449604051 330939008 /nfs/dbraw/zinc/93/90/08/330939008.db2.gz IWVWCGCAFIICLB-UHFFFAOYSA-N 2 2 299.462 3.777 20 30 CHEDLP C=C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000489511491 332057661 /nfs/dbraw/zinc/05/76/61/332057661.db2.gz NDIXYQOKWARSQB-KRWDZBQOSA-N 2 2 281.403 3.721 20 30 CHEDLP C=C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000489511491 332057662 /nfs/dbraw/zinc/05/76/62/332057662.db2.gz NDIXYQOKWARSQB-KRWDZBQOSA-N 2 2 281.403 3.721 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)cc2)CC1 ZINC000177905481 333065647 /nfs/dbraw/zinc/06/56/47/333065647.db2.gz NXQJRKIDWJOMLS-OAHLLOKOSA-N 2 2 272.436 3.550 20 30 CHEDLP C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000564148054 333113089 /nfs/dbraw/zinc/11/30/89/333113089.db2.gz LNLVUHGVSYEDFJ-ZACQAIPSSA-N 2 2 274.452 3.697 20 30 CHEDLP C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000564148054 333113091 /nfs/dbraw/zinc/11/30/91/333113091.db2.gz LNLVUHGVSYEDFJ-ZACQAIPSSA-N 2 2 274.452 3.697 20 30 CHEDLP C=CCCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000577034030 335285747 /nfs/dbraw/zinc/28/57/47/335285747.db2.gz UYFONJRMOHDKAY-MRXNPFEDSA-N 2 2 287.451 3.755 20 30 CHEDLP C=CCCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000577034030 335285748 /nfs/dbraw/zinc/28/57/48/335285748.db2.gz UYFONJRMOHDKAY-MRXNPFEDSA-N 2 2 287.451 3.755 20 30 CHEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217239 534106649 /nfs/dbraw/zinc/10/66/49/534106649.db2.gz QSMPAZFLTRUMPO-FUHWJXTLSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000344217239 534106657 /nfs/dbraw/zinc/10/66/57/534106657.db2.gz QSMPAZFLTRUMPO-FUHWJXTLSA-N 2 2 299.462 3.741 20 30 CHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602545369 1127590045 /nfs/dbraw/zinc/59/00/45/1127590045.db2.gz MVZXTWLINUCNMH-HJOIGYKYSA-N 2 2 299.462 3.788 20 30 CHEDLP C[C@H](CCC#N)C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000602545391 1127590107 /nfs/dbraw/zinc/59/01/07/1127590107.db2.gz NMEWPRPGTMQUGM-CVEARBPZSA-N 2 2 287.451 3.645 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CC)CC2)CC1 ZINC000657351887 1119020170 /nfs/dbraw/zinc/02/01/70/1119020170.db2.gz AWDVMMYXILAQOD-JKSUJKDBSA-N 2 2 264.457 3.585 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(SC)s2)CC1 ZINC000584498942 1119821400 /nfs/dbraw/zinc/82/14/00/1119821400.db2.gz NGHCIVUSSQKVHS-UHFFFAOYSA-N 2 2 296.505 3.600 20 30 CHEDLP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000584746810 1120433081 /nfs/dbraw/zinc/43/30/81/1120433081.db2.gz NGBSMCBEUCLTKM-JKSUJKDBSA-N 2 2 283.419 3.622 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2coc3ccccc23)CC1 ZINC000924983608 1122405787 /nfs/dbraw/zinc/40/57/87/1122405787.db2.gz HBSRKWGWVDAVGW-AWEZNQCLSA-N 2 2 284.403 3.734 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000439091909 1122752855 /nfs/dbraw/zinc/75/28/55/1122752855.db2.gz XJSMQNMLKSJNAB-UXLLHSPISA-N 2 2 264.457 3.584 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000439091909 1122752858 /nfs/dbraw/zinc/75/28/58/1122752858.db2.gz XJSMQNMLKSJNAB-UXLLHSPISA-N 2 2 264.457 3.584 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000106245738 1123156960 /nfs/dbraw/zinc/15/69/60/1123156960.db2.gz QYWFYFALBQSUQX-PBHICJAKSA-N 2 2 288.435 3.533 20 30 CHEDLP CC[C@H](CC#N)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024298 1123460178 /nfs/dbraw/zinc/46/01/78/1123460178.db2.gz DSMFTACDWMLWKT-XYJFISCASA-N 2 2 299.462 3.710 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449120625 1124651444 /nfs/dbraw/zinc/65/14/44/1124651444.db2.gz DRMMJRWBYRJFBF-HNNXBMFYSA-N 2 2 298.430 3.604 20 30 CHEDLP CC[NH+]1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169255013 1129712885 /nfs/dbraw/zinc/71/28/85/1129712885.db2.gz LXFNAWNZCFICLP-UHFFFAOYSA-N 2 2 291.483 3.799 20 30 CHEDLP CC[NH+]1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169255013 1129712889 /nfs/dbraw/zinc/71/28/89/1129712889.db2.gz LXFNAWNZCFICLP-UHFFFAOYSA-N 2 2 291.483 3.799 20 30 CHEDLP C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903108187 1130114664 /nfs/dbraw/zinc/11/46/64/1130114664.db2.gz OHYDLWVOIWBQBQ-OAHLLOKOSA-N 2 2 294.402 3.607 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000793535996 1130565403 /nfs/dbraw/zinc/56/54/03/1130565403.db2.gz USPLBALXRKWJEO-HOTGVXAUSA-N 2 2 284.513 3.538 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909916 1130805378 /nfs/dbraw/zinc/80/53/78/1130805378.db2.gz JDKDEVKJEAEIIT-JKSUJKDBSA-N 2 2 272.452 3.888 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909916 1130805382 /nfs/dbraw/zinc/80/53/82/1130805382.db2.gz JDKDEVKJEAEIIT-JKSUJKDBSA-N 2 2 272.452 3.888 20 30 CHEDLP C=CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020800 1131037336 /nfs/dbraw/zinc/03/73/36/1131037336.db2.gz YAWWLRDSLFXELR-SFHVURJKSA-N 2 2 272.436 3.509 20 30 CHEDLP C=CCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020800 1131037342 /nfs/dbraw/zinc/03/73/42/1131037342.db2.gz YAWWLRDSLFXELR-SFHVURJKSA-N 2 2 272.436 3.509 20 30 CHEDLP C[NH+](C)C1CCC(/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000817708444 1131177224 /nfs/dbraw/zinc/17/72/24/1131177224.db2.gz XWPJYNZJYADYDI-DEDYPNTBSA-N 2 2 296.414 3.837 20 30 CHEDLP CCCCCCCCC[C@H](CCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246300929 1131452690 /nfs/dbraw/zinc/45/26/90/1131452690.db2.gz QKYZGMKOEOIYCY-IRXDYDNUSA-N 3 2 285.520 3.909 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC001206777907 1133748053 /nfs/dbraw/zinc/74/80/53/1133748053.db2.gz WSXSUHPIYQNGTQ-CVEARBPZSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC001206777907 1133748059 /nfs/dbraw/zinc/74/80/59/1133748059.db2.gz WSXSUHPIYQNGTQ-CVEARBPZSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC001206777909 1133748143 /nfs/dbraw/zinc/74/81/43/1133748143.db2.gz WSXSUHPIYQNGTQ-HZPDHXFCSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC001206777909 1133748150 /nfs/dbraw/zinc/74/81/50/1133748150.db2.gz WSXSUHPIYQNGTQ-HZPDHXFCSA-N 2 2 252.446 3.585 20 30 CHEDLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CCC#N)c1ccccc1 ZINC000290509340 263117229 /nfs/dbraw/zinc/11/72/29/263117229.db2.gz WXLUHYPYEUOWGN-LJQANCHMSA-N 2 2 293.414 3.957 20 30 CHEDLP C=CCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935267 263139366 /nfs/dbraw/zinc/13/93/66/263139366.db2.gz FPQBUSGZSXGKML-RDTXWAMCSA-N 2 2 268.404 3.784 20 30 CHEDLP C=CCCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000580156159 327714219 /nfs/dbraw/zinc/71/42/19/327714219.db2.gz ZPPDGRJLXDFXPW-OAHLLOKOSA-N 2 2 269.392 3.879 20 30 CHEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000449174979 327104529 /nfs/dbraw/zinc/10/45/29/327104529.db2.gz ZKKKUUWJKYKCEY-ZBFHGGJFSA-N 2 2 275.440 3.793 20 30 CHEDLP CC(C)CC[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000173539931 329148862 /nfs/dbraw/zinc/14/88/62/329148862.db2.gz NPINXDZXZHRULP-UHFFFAOYSA-N 2 2 296.418 3.634 20 30 CHEDLP CC(C)CC[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000173539931 329148863 /nfs/dbraw/zinc/14/88/63/329148863.db2.gz NPINXDZXZHRULP-UHFFFAOYSA-N 2 2 296.418 3.634 20 30 CHEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953364 330294580 /nfs/dbraw/zinc/29/45/80/330294580.db2.gz WSFVRTXVRIQRLN-BEFAXECRSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000527953364 330294581 /nfs/dbraw/zinc/29/45/81/330294581.db2.gz WSFVRTXVRIQRLN-BEFAXECRSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000119916090 330380154 /nfs/dbraw/zinc/38/01/54/330380154.db2.gz XULXVIPNBLBZLA-MRXNPFEDSA-N 2 2 283.419 3.679 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000177911056 333065440 /nfs/dbraw/zinc/06/54/40/333065440.db2.gz HOTUBWNFQOUBSA-SFHVURJKSA-N 2 2 284.447 3.649 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccco1 ZINC000353448682 527447736 /nfs/dbraw/zinc/44/77/36/527447736.db2.gz OEKFOKPQHNSYPB-OAHLLOKOSA-N 2 2 264.413 3.607 20 30 CHEDLP C=CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccco1 ZINC000353448682 527447741 /nfs/dbraw/zinc/44/77/41/527447741.db2.gz OEKFOKPQHNSYPB-OAHLLOKOSA-N 2 2 264.413 3.607 20 30 CHEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651235 1131777182 /nfs/dbraw/zinc/77/71/82/1131777182.db2.gz BSZSIMVXYGYQER-HRCADAONSA-N 2 2 252.446 3.549 20 30 CHEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651235 1131777187 /nfs/dbraw/zinc/77/71/87/1131777187.db2.gz BSZSIMVXYGYQER-HRCADAONSA-N 2 2 252.446 3.549 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191273162 1126949449 /nfs/dbraw/zinc/94/94/49/1126949449.db2.gz GMTCZDLHQISJQS-LLVKDONJSA-N 2 2 284.856 3.703 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193092866 1126966516 /nfs/dbraw/zinc/96/65/16/1126966516.db2.gz NSAMPXJTFAICIN-UHFFFAOYSA-N 2 2 284.856 3.532 20 30 CHEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000358324543 1127415669 /nfs/dbraw/zinc/41/56/69/1127415669.db2.gz BTTOENZYTPCXFM-RYQLBKOJSA-N 2 2 272.436 3.624 20 30 CHEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000358324543 1127415670 /nfs/dbraw/zinc/41/56/70/1127415670.db2.gz BTTOENZYTPCXFM-RYQLBKOJSA-N 2 2 272.436 3.624 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000924534458 1128102604 /nfs/dbraw/zinc/10/26/04/1128102604.db2.gz WVTKETWBCSQZQS-FUHWJXTLSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209445556 1118061796 /nfs/dbraw/zinc/06/17/96/1118061796.db2.gz LHNYJSIWPSDJHE-MSOLQXFVSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209445556 1118061801 /nfs/dbraw/zinc/06/18/01/1118061801.db2.gz LHNYJSIWPSDJHE-MSOLQXFVSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209445556 1118061806 /nfs/dbraw/zinc/06/18/06/1118061806.db2.gz LHNYJSIWPSDJHE-MSOLQXFVSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209445556 1118061810 /nfs/dbraw/zinc/06/18/10/1118061810.db2.gz LHNYJSIWPSDJHE-MSOLQXFVSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000584746809 1120433453 /nfs/dbraw/zinc/43/34/53/1120433453.db2.gz NGBSMCBEUCLTKM-HZPDHXFCSA-N 2 2 283.419 3.622 20 30 CHEDLP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000584746808 1120433587 /nfs/dbraw/zinc/43/35/87/1120433587.db2.gz NGBSMCBEUCLTKM-HOTGVXAUSA-N 2 2 283.419 3.622 20 30 CHEDLP C=CCC[C@@H](CCC)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000675742999 1121353960 /nfs/dbraw/zinc/35/39/60/1121353960.db2.gz CJJMICXHEWBPEC-JKSUJKDBSA-N 2 2 252.446 3.585 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763754 1121433179 /nfs/dbraw/zinc/43/31/79/1121433179.db2.gz UEUQHLWVIIJNAR-MRXNPFEDSA-N 2 2 266.473 3.833 20 30 CHEDLP C=CCCCCC[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763754 1121433181 /nfs/dbraw/zinc/43/31/81/1121433181.db2.gz UEUQHLWVIIJNAR-MRXNPFEDSA-N 2 2 266.473 3.833 20 30 CHEDLP C=CCCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC001175774916 1121462895 /nfs/dbraw/zinc/46/28/95/1121462895.db2.gz NHFUROAAILONSV-SFHVURJKSA-N 2 2 283.419 3.960 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284131977 1121924720 /nfs/dbraw/zinc/92/47/20/1121924720.db2.gz CYBHSZRZWPPYMM-FQEVSTJZSA-N 2 2 298.474 3.556 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(F)cccc2CC)CC1 ZINC000474710520 1123575505 /nfs/dbraw/zinc/57/55/05/1123575505.db2.gz QCJDOEUAGMGEHJ-UHFFFAOYSA-N 2 2 290.426 3.518 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CCC)s2)CC1 ZINC000621334896 1129164207 /nfs/dbraw/zinc/16/42/07/1129164207.db2.gz VHZGUXUBWMJDKZ-UHFFFAOYSA-N 2 2 292.492 3.831 20 30 CHEDLP C=CC[C@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000651700033 1129744577 /nfs/dbraw/zinc/74/45/77/1129744577.db2.gz QLBBLCOZFAKKMZ-HOTGVXAUSA-N 2 2 273.424 3.608 20 30 CHEDLP CCCCCCC[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC001172361846 1132189379 /nfs/dbraw/zinc/18/93/79/1132189379.db2.gz PONUPLZMEWTOIK-HNNXBMFYSA-N 2 2 251.418 3.612 20 30 CHEDLP CC[NH+](CC)C1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001173102114 1132391596 /nfs/dbraw/zinc/39/15/96/1132391596.db2.gz SIQLGMXPKHELSI-UHFFFAOYSA-N 2 2 291.483 3.846 20 30 CHEDLP CCCCCCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001173284706 1132456788 /nfs/dbraw/zinc/45/67/88/1132456788.db2.gz HYHYZUCLAKNBRI-BRWVUGGUSA-N 2 2 284.488 3.612 20 30 CHEDLP C=CCCCCCCC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001206142800 1133663808 /nfs/dbraw/zinc/66/38/08/1133663808.db2.gz OIQQTHZDJAHMEQ-INIZCTEOSA-N 2 2 252.446 3.587 20 30 CHEDLP C=CCCCCCCC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001206142800 1133663805 /nfs/dbraw/zinc/66/38/05/1133663805.db2.gz OIQQTHZDJAHMEQ-INIZCTEOSA-N 2 2 252.446 3.587 20 30 CHEDLP CCCCCCC/C=C/C[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001208121169 1133881383 /nfs/dbraw/zinc/88/13/83/1133881383.db2.gz YVXXWBZCYDQAQE-MDZDMXLPSA-N 2 2 275.440 3.924 20 30 CHEDLP CCCCCCC/C=C/C[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001208121169 1133881389 /nfs/dbraw/zinc/88/13/89/1133881389.db2.gz YVXXWBZCYDQAQE-MDZDMXLPSA-N 2 2 275.440 3.924 20 30 CHEDLP C=CCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414842067 263057958 /nfs/dbraw/zinc/05/79/58/263057958.db2.gz IKXQBZWFVMKTCU-WMLDXEAASA-N 2 2 260.425 3.754 20 30 CHEDLP C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000340446011 263152463 /nfs/dbraw/zinc/15/24/63/263152463.db2.gz MYBODIMZMNOXSF-SZVBFZGTSA-N 2 2 297.446 3.636 20 30 CHEDLP C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000340446011 263152464 /nfs/dbraw/zinc/15/24/64/263152464.db2.gz MYBODIMZMNOXSF-SZVBFZGTSA-N 2 2 297.446 3.636 20 30 CHEDLP C=CCC[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000120904670 263288683 /nfs/dbraw/zinc/28/86/83/263288683.db2.gz PWXJEDSZCSRJNG-INIZCTEOSA-N 2 2 273.424 3.608 20 30 CHEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340916449 263314617 /nfs/dbraw/zinc/31/46/17/263314617.db2.gz NCZVYMISLNCLQW-HRCADAONSA-N 2 2 261.413 3.511 20 30 CHEDLP C=CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340916449 263314620 /nfs/dbraw/zinc/31/46/20/263314620.db2.gz NCZVYMISLNCLQW-HRCADAONSA-N 2 2 261.413 3.511 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189325801 264289617 /nfs/dbraw/zinc/28/96/17/264289617.db2.gz NTAWQYNMMJVIDE-UHFFFAOYSA-N 2 2 296.817 3.609 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000177905182 329189971 /nfs/dbraw/zinc/18/99/71/329189971.db2.gz KFZUTGQBBGNAFZ-INIZCTEOSA-N 2 2 286.463 3.593 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271618502 330081682 /nfs/dbraw/zinc/08/16/82/330081682.db2.gz BKBVUWODSGXUOO-GOSISDBHSA-N 2 2 288.410 3.517 20 30 CHEDLP N#CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423001092 330163692 /nfs/dbraw/zinc/16/36/92/330163692.db2.gz WLMSTQGLYNKEPB-CEXWTWQISA-N 2 2 291.398 3.766 20 30 CHEDLP C=CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000120463710 330388207 /nfs/dbraw/zinc/38/82/07/330388207.db2.gz JGMGZOFDDZCUJK-QGZVFWFLSA-N 2 2 281.403 3.707 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123193814 330455089 /nfs/dbraw/zinc/45/50/89/330455089.db2.gz HKUJHSGIFIELTH-MOPGFXCFSA-N 2 2 298.474 3.809 20 30 CHEDLP Cc1ccc([C@H](C[NH2+]C2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC000449108052 330899412 /nfs/dbraw/zinc/89/94/12/330899412.db2.gz SBDGZVRXPKRZJI-XBMUEBEBSA-N 2 2 299.462 3.660 20 30 CHEDLP C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000343502888 335205604 /nfs/dbraw/zinc/20/56/04/335205604.db2.gz KYFLZDHVTUBOQX-ZBFHGGJFSA-N 2 2 269.392 3.878 20 30 CHEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827463 1126903262 /nfs/dbraw/zinc/90/32/62/1126903262.db2.gz AUCZOFNQWWTKMJ-BQFCYCMXSA-N 2 2 299.462 3.788 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000602674016 1127601850 /nfs/dbraw/zinc/60/18/50/1127601850.db2.gz DDHHIRLPJULLTH-KRWDZBQOSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000602674016 1127601853 /nfs/dbraw/zinc/60/18/53/1127601853.db2.gz DDHHIRLPJULLTH-KRWDZBQOSA-N 2 2 299.462 3.571 20 30 CHEDLP CCC(CC)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593687179 1127659767 /nfs/dbraw/zinc/65/97/67/1127659767.db2.gz DBSNPZYTCMIHNS-UHFFFAOYSA-N 2 2 299.462 3.548 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000925182158 1128125342 /nfs/dbraw/zinc/12/53/42/1128125342.db2.gz BJYGRMAUHCKPNS-CABCVRRESA-N 2 2 296.418 3.851 20 30 CHEDLP CC(C)CC[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000926713267 1128189918 /nfs/dbraw/zinc/18/99/18/1128189918.db2.gz QBOLQXIHYRRYTH-UHFFFAOYSA-N 2 2 291.483 3.561 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129001 1128302844 /nfs/dbraw/zinc/30/28/44/1128302844.db2.gz KYUMICZAZDBORE-UHFFFAOYSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129001 1128302848 /nfs/dbraw/zinc/30/28/48/1128302848.db2.gz KYUMICZAZDBORE-UHFFFAOYSA-N 2 2 296.499 3.582 20 30 CHEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657836636 1119488321 /nfs/dbraw/zinc/48/83/21/1119488321.db2.gz MPPKJJNPZMOHCX-SJLPKXTDSA-N 2 2 299.462 3.775 20 30 CHEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccco1 ZINC000375840806 1119766771 /nfs/dbraw/zinc/76/67/71/1119766771.db2.gz QGFZXYBMEPJCDL-JKSUJKDBSA-N 2 2 299.418 3.959 20 30 CHEDLP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000651673689 1120708079 /nfs/dbraw/zinc/70/80/79/1120708079.db2.gz TYIMGHQRFKTJOF-APWZRJJASA-N 2 2 295.430 3.766 20 30 CHEDLP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](C)C#N ZINC000411210254 1121537319 /nfs/dbraw/zinc/53/73/19/1121537319.db2.gz PLRYHBYVGMUCBV-QGZVFWFLSA-N 2 2 299.462 3.654 20 30 CHEDLP CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](C)C#N ZINC000411210254 1121537324 /nfs/dbraw/zinc/53/73/24/1121537324.db2.gz PLRYHBYVGMUCBV-QGZVFWFLSA-N 2 2 299.462 3.654 20 30 CHEDLP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](C)C#N ZINC000411210251 1121537435 /nfs/dbraw/zinc/53/74/35/1121537435.db2.gz PLRYHBYVGMUCBV-KRWDZBQOSA-N 2 2 299.462 3.654 20 30 CHEDLP CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](C)C#N ZINC000411210251 1121537442 /nfs/dbraw/zinc/53/74/42/1121537442.db2.gz PLRYHBYVGMUCBV-KRWDZBQOSA-N 2 2 299.462 3.654 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)c2ccccn2)CC1 ZINC000159041634 1129157995 /nfs/dbraw/zinc/15/79/95/1129157995.db2.gz VYZVWFMYQRVMLW-SFHVURJKSA-N 2 2 287.451 3.553 20 30 CHEDLP C=CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678929824 1130473336 /nfs/dbraw/zinc/47/33/36/1130473336.db2.gz OQGGXVKERYNWDC-RDJZCZTQSA-N 2 2 272.436 3.594 20 30 CHEDLP C=CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678929824 1130473337 /nfs/dbraw/zinc/47/33/37/1130473337.db2.gz OQGGXVKERYNWDC-RDJZCZTQSA-N 2 2 272.436 3.594 20 30 CHEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)(C)C ZINC001234085760 1130607365 /nfs/dbraw/zinc/60/73/65/1130607365.db2.gz WQTXIBODQGPTNO-UHFFFAOYSA-N 2 2 299.418 3.667 20 30 CHEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)(C)C ZINC001234085760 1130607368 /nfs/dbraw/zinc/60/73/68/1130607368.db2.gz WQTXIBODQGPTNO-UHFFFAOYSA-N 2 2 299.418 3.667 20 30 CHEDLP CCCCCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191768 1135206137 /nfs/dbraw/zinc/20/61/37/1135206137.db2.gz ORTXUXWYXJHNLX-QGZVFWFLSA-N 2 2 266.473 3.955 20 30 CHEDLP CCCCCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191768 1135206142 /nfs/dbraw/zinc/20/61/42/1135206142.db2.gz ORTXUXWYXJHNLX-QGZVFWFLSA-N 2 2 266.473 3.955 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)c1C ZINC000291235302 263120899 /nfs/dbraw/zinc/12/08/99/263120899.db2.gz KTYYKRNQMVMECO-WBVHZDCISA-N 2 2 294.402 3.983 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000558466072 327096375 /nfs/dbraw/zinc/09/63/75/327096375.db2.gz JOXVDJIRSCHTAB-RYQLBKOJSA-N 2 2 272.436 3.766 20 30 CHEDLP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000558466072 327096377 /nfs/dbraw/zinc/09/63/77/327096377.db2.gz JOXVDJIRSCHTAB-RYQLBKOJSA-N 2 2 272.436 3.766 20 30 CHEDLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000560146134 327287041 /nfs/dbraw/zinc/28/70/41/327287041.db2.gz YPAPMUVRCQKFBD-UHFFFAOYSA-N 2 2 291.483 3.559 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000177906455 329189849 /nfs/dbraw/zinc/18/98/49/329189849.db2.gz GXQKLMVMNKNPLV-LLVKDONJSA-N 2 2 284.856 3.703 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000177907890 329189925 /nfs/dbraw/zinc/18/99/25/329189925.db2.gz RNLHZJVKTJFNAW-MRXNPFEDSA-N 2 2 272.436 3.604 20 30 CHEDLP C=CCC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccco1 ZINC000423180460 330175334 /nfs/dbraw/zinc/17/53/34/330175334.db2.gz NUZJGTAYHMDPTH-CQSZACIVSA-N 2 2 262.397 3.538 20 30 CHEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999408 330299709 /nfs/dbraw/zinc/29/97/09/330299709.db2.gz HNDZXQQHNYFLQA-RBUKOAKNSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000527999408 330299710 /nfs/dbraw/zinc/29/97/10/330299710.db2.gz HNDZXQQHNYFLQA-RBUKOAKNSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000120090785 330385391 /nfs/dbraw/zinc/38/53/91/330385391.db2.gz KJCGPPLVHGBWSW-IBGZPJMESA-N 2 2 295.430 3.766 20 30 CHEDLP C=CCCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000581464360 336082163 /nfs/dbraw/zinc/08/21/63/336082163.db2.gz RHLZQVPTVHCNEW-UHFFFAOYSA-N 2 2 273.424 3.704 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209445587 1118063593 /nfs/dbraw/zinc/06/35/93/1118063593.db2.gz LHNYJSIWPSDJHE-ZWKOTPCHSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209445587 1118063599 /nfs/dbraw/zinc/06/35/99/1118063599.db2.gz LHNYJSIWPSDJHE-ZWKOTPCHSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209445587 1118063605 /nfs/dbraw/zinc/06/36/05/1118063605.db2.gz LHNYJSIWPSDJHE-ZWKOTPCHSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209445587 1118063611 /nfs/dbraw/zinc/06/36/11/1118063611.db2.gz LHNYJSIWPSDJHE-ZWKOTPCHSA-N 2 2 278.484 3.929 20 30 CHEDLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181924514 1126863018 /nfs/dbraw/zinc/86/30/18/1126863018.db2.gz ROJMAWUUDAIDQT-GOSISDBHSA-N 2 2 299.462 3.691 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000602623402 1127598253 /nfs/dbraw/zinc/59/82/53/1127598253.db2.gz PJSABEKTFQVSNQ-HKUYNNGSSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000602623402 1127598254 /nfs/dbraw/zinc/59/82/54/1127598254.db2.gz PJSABEKTFQVSNQ-HKUYNNGSSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000924534461 1128102608 /nfs/dbraw/zinc/10/26/08/1128102608.db2.gz WVTKETWBCSQZQS-SJLPKXTDSA-N 2 2 299.462 3.741 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209445572 1118062102 /nfs/dbraw/zinc/06/21/02/1118062102.db2.gz LHNYJSIWPSDJHE-QZTJIDSGSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209445572 1118062108 /nfs/dbraw/zinc/06/21/08/1118062108.db2.gz LHNYJSIWPSDJHE-QZTJIDSGSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209445572 1118062113 /nfs/dbraw/zinc/06/21/13/1118062113.db2.gz LHNYJSIWPSDJHE-QZTJIDSGSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209445572 1118062117 /nfs/dbraw/zinc/06/21/17/1118062117.db2.gz LHNYJSIWPSDJHE-QZTJIDSGSA-N 2 2 278.484 3.929 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2F)CC1 ZINC000180489422 1118303367 /nfs/dbraw/zinc/30/33/67/1118303367.db2.gz BQEYVUYZCIADCD-KRWDZBQOSA-N 2 2 276.399 3.517 20 30 CHEDLP CCCCCCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779194650 1128784558 /nfs/dbraw/zinc/78/45/58/1128784558.db2.gz WOSXOHHPRFUNBA-LSDHHAIUSA-N 2 2 263.429 3.537 20 30 CHEDLP CCCCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252890894 1121662016 /nfs/dbraw/zinc/66/20/16/1121662016.db2.gz IUTAIWXOQZMCAO-INIZCTEOSA-N 2 2 252.446 3.517 20 30 CHEDLP CCCCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252890894 1121662017 /nfs/dbraw/zinc/66/20/17/1121662017.db2.gz IUTAIWXOQZMCAO-INIZCTEOSA-N 2 2 252.446 3.517 20 30 CHEDLP CCCCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252890894 1121662018 /nfs/dbraw/zinc/66/20/18/1121662018.db2.gz IUTAIWXOQZMCAO-INIZCTEOSA-N 2 2 252.446 3.517 20 30 CHEDLP CCCCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000252890894 1121662019 /nfs/dbraw/zinc/66/20/19/1121662019.db2.gz IUTAIWXOQZMCAO-INIZCTEOSA-N 2 2 252.446 3.517 20 30 CHEDLP C=CCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110389 1123211151 /nfs/dbraw/zinc/21/11/51/1123211151.db2.gz KIWUGYAGLTWKBV-BZUAXINKSA-N 2 2 273.424 3.513 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449120626 1124651485 /nfs/dbraw/zinc/65/14/85/1124651485.db2.gz DRMMJRWBYRJFBF-OAHLLOKOSA-N 2 2 298.430 3.604 20 30 CHEDLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000449240931 1124678692 /nfs/dbraw/zinc/67/86/92/1124678692.db2.gz PYLKZOALUAJVMG-UHFFFAOYSA-N 2 2 293.499 3.805 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532231539 1125243633 /nfs/dbraw/zinc/24/36/33/1125243633.db2.gz TULQQLOBMVTOPV-IBGZPJMESA-N 2 2 284.447 3.768 20 30 CHEDLP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903007029 1130099721 /nfs/dbraw/zinc/09/97/21/1130099721.db2.gz UHMMZZMCJXEUMM-VYDXJSESSA-N 2 2 294.402 3.605 20 30 CHEDLP CCCCCCC/C=C/C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112248 1130711791 /nfs/dbraw/zinc/71/17/91/1130711791.db2.gz ZGMLUZBRPMBBQZ-KBOKABMXSA-N 2 2 264.457 3.731 20 30 CHEDLP CCCCCCC/C=C/C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112248 1130711794 /nfs/dbraw/zinc/71/17/94/1130711794.db2.gz ZGMLUZBRPMBBQZ-KBOKABMXSA-N 2 2 264.457 3.731 20 30 CHEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973901 1132117985 /nfs/dbraw/zinc/11/79/85/1132117985.db2.gz AVTRMEKWDXNHFG-ZWKOTPCHSA-N 2 2 299.462 3.711 20 30 CHEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973901 1132117990 /nfs/dbraw/zinc/11/79/90/1132117990.db2.gz AVTRMEKWDXNHFG-ZWKOTPCHSA-N 2 2 299.462 3.711 20 30 CHEDLP CCCCCCCC[C@H](CC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172505738 1132253856 /nfs/dbraw/zinc/25/38/56/1132253856.db2.gz TZAFVRKGYZHGNX-KRWDZBQOSA-N 2 2 298.515 3.562 20 30 CHEDLP CCCCCCCC[C@@H](CC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172505739 1132254330 /nfs/dbraw/zinc/25/43/30/1132254330.db2.gz TZAFVRKGYZHGNX-QGZVFWFLSA-N 2 2 298.515 3.562 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001163993661 1133191086 /nfs/dbraw/zinc/19/10/86/1133191086.db2.gz RQAZABKXJSEADH-UHFFFAOYSA-N 2 2 295.430 3.792 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001205981094 1133638184 /nfs/dbraw/zinc/63/81/84/1133638184.db2.gz WKPSEOPDKQVJPJ-CYBMUJFWSA-N 2 2 289.810 3.970 20 30 CHEDLP C=CCCCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209435392 1134018074 /nfs/dbraw/zinc/01/80/74/1134018074.db2.gz JAXUCDAQYMKINZ-UHFFFAOYSA-N 2 2 276.468 3.541 20 30 CHEDLP C=CCCCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209435392 1134018080 /nfs/dbraw/zinc/01/80/80/1134018080.db2.gz JAXUCDAQYMKINZ-UHFFFAOYSA-N 2 2 276.468 3.541 20 30 CHEDLP C=CCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935263 263139432 /nfs/dbraw/zinc/13/94/32/263139432.db2.gz FPQBUSGZSXGKML-KBXCAEBGSA-N 2 2 268.404 3.784 20 30 CHEDLP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296586308 263193874 /nfs/dbraw/zinc/19/38/74/263193874.db2.gz UTBUKZIEFNNPAG-ZOBUZTSGSA-N 2 2 294.402 3.605 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289989378 328528255 /nfs/dbraw/zinc/52/82/55/328528255.db2.gz YHKMKHCBWIBEAD-OAHLLOKOSA-N 2 2 295.430 3.536 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000177907042 329189918 /nfs/dbraw/zinc/18/99/18/329189918.db2.gz MYNRFXDWOMQLCU-LBPRGKRZSA-N 2 2 296.817 3.780 20 30 CHEDLP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182059369 329239228 /nfs/dbraw/zinc/23/92/28/329239228.db2.gz RUYKLLWAAQQXGS-MRXNPFEDSA-N 2 2 299.462 3.547 20 30 CHEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423362174 330194117 /nfs/dbraw/zinc/19/41/17/330194117.db2.gz AYEPEGBFCRBWLE-MDASCCDHSA-N 2 2 293.414 3.512 20 30 CHEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945270 330294223 /nfs/dbraw/zinc/29/42/23/330294223.db2.gz FKKDVBUYOULOHV-DNVCBOLYSA-N 2 2 297.446 3.616 20 30 CHEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000527945270 330294224 /nfs/dbraw/zinc/29/42/24/330294224.db2.gz FKKDVBUYOULOHV-DNVCBOLYSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCC[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000439096107 330733714 /nfs/dbraw/zinc/73/37/14/330733714.db2.gz VRJYPHYLBAZXFW-INIZCTEOSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000474707250 331595157 /nfs/dbraw/zinc/59/51/57/331595157.db2.gz IVMPJRZSAQBJEX-SJLPKXTDSA-N 2 2 278.484 3.831 20 30 CHEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000265484018 526043157 /nfs/dbraw/zinc/04/31/57/526043157.db2.gz MIAQFCJBZOWMHI-MRXNPFEDSA-N 2 2 297.446 3.570 20 30 CHEDLP C=CC[N@H+](CCCc1ccc(C)[nH+]c1)CCc1ccco1 ZINC000354641325 526274994 /nfs/dbraw/zinc/27/49/94/526274994.db2.gz YNNNFYMHPSNPJD-UHFFFAOYSA-N 2 2 284.403 3.646 20 30 CHEDLP C=CC[N@@H+](CCCc1ccc(C)[nH+]c1)CCc1ccco1 ZINC000354641325 526274997 /nfs/dbraw/zinc/27/49/97/526274997.db2.gz YNNNFYMHPSNPJD-UHFFFAOYSA-N 2 2 284.403 3.646 20 30 CHEDLP CCCCCCC/C=C/C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112247 1130712119 /nfs/dbraw/zinc/71/21/19/1130712119.db2.gz ZGMLUZBRPMBBQZ-IJDCCNJMSA-N 2 2 264.457 3.731 20 30 CHEDLP CC[C@H](C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594968535 1127441416 /nfs/dbraw/zinc/44/14/16/1127441416.db2.gz RMYZSMWXXOYQJK-INIZCTEOSA-N 2 2 299.462 3.548 20 30 CHEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926864763 1128199015 /nfs/dbraw/zinc/19/90/15/1128199015.db2.gz OMRMNTPFKDAOLF-DOTOQJQBSA-N 2 2 296.418 3.542 20 30 CHEDLP C=CCC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000777610466 1128205361 /nfs/dbraw/zinc/20/53/61/1128205361.db2.gz LCZOJRUOEIMECY-LJQANCHMSA-N 2 2 299.462 3.595 20 30 CHEDLP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258049168 1128688825 /nfs/dbraw/zinc/68/88/25/1128688825.db2.gz AQQXQNCRPNLGEF-GVDBMIGSSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258049168 1128688827 /nfs/dbraw/zinc/68/88/27/1128688827.db2.gz AQQXQNCRPNLGEF-GVDBMIGSSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258049168 1128688830 /nfs/dbraw/zinc/68/88/30/1128688830.db2.gz AQQXQNCRPNLGEF-GVDBMIGSSA-N 2 2 266.473 3.761 20 30 CHEDLP CCCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258049168 1128688832 /nfs/dbraw/zinc/68/88/32/1128688832.db2.gz AQQXQNCRPNLGEF-GVDBMIGSSA-N 2 2 266.473 3.761 20 30 CHEDLP C=CCCCCCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001209441188 1118061234 /nfs/dbraw/zinc/06/12/34/1118061234.db2.gz FYBHDCYWLOZQBJ-UHFFFAOYSA-N 2 2 263.429 3.732 20 30 CHEDLP C=CCCCCCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001209441188 1118061237 /nfs/dbraw/zinc/06/12/37/1118061237.db2.gz FYBHDCYWLOZQBJ-UHFFFAOYSA-N 2 2 263.429 3.732 20 30 CHEDLP C=C(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000187773703 1119263131 /nfs/dbraw/zinc/26/31/31/1119263131.db2.gz UBGVSQNANALHOA-WMLDXEAASA-N 2 2 294.389 3.656 20 30 CHEDLP C=C(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000187773703 1119263133 /nfs/dbraw/zinc/26/31/33/1119263133.db2.gz UBGVSQNANALHOA-WMLDXEAASA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892881485 1120155179 /nfs/dbraw/zinc/15/51/79/1120155179.db2.gz XGJGGRUVICVJGZ-UHFFFAOYSA-N 2 2 298.352 3.503 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000187977287 1123001334 /nfs/dbraw/zinc/00/13/34/1123001334.db2.gz TWKCKMRFSXUKEU-UXHICEINSA-N 2 2 298.474 3.737 20 30 CHEDLP CCCCCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201813157 1123151243 /nfs/dbraw/zinc/15/12/43/1123151243.db2.gz BHASNRGOSWVZAM-UHFFFAOYSA-N 2 2 278.484 3.765 20 30 CHEDLP CCCCCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201813157 1123151247 /nfs/dbraw/zinc/15/12/47/1123151247.db2.gz BHASNRGOSWVZAM-UHFFFAOYSA-N 2 2 278.484 3.765 20 30 CHEDLP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](CC=C)CC1 ZINC000793527213 1130563053 /nfs/dbraw/zinc/56/30/53/1130563053.db2.gz OTWZXNLFYPYQET-INIZCTEOSA-N 2 2 264.457 3.751 20 30 CHEDLP CCCCCCC/C=C/C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112247 1130712115 /nfs/dbraw/zinc/71/21/15/1130712115.db2.gz ZGMLUZBRPMBBQZ-IJDCCNJMSA-N 2 2 264.457 3.731 20 30 CHEDLP CCCCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237142363 1131057471 /nfs/dbraw/zinc/05/74/71/1131057471.db2.gz MRJODUOVWABZJS-GOSISDBHSA-N 2 2 296.499 3.582 20 30 CHEDLP CCCCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237142363 1131057475 /nfs/dbraw/zinc/05/74/75/1131057475.db2.gz MRJODUOVWABZJS-GOSISDBHSA-N 2 2 296.499 3.582 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973898 1132116784 /nfs/dbraw/zinc/11/67/84/1132116784.db2.gz AVTRMEKWDXNHFG-MSOLQXFVSA-N 2 2 299.462 3.711 20 30 CHEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171973898 1132116792 /nfs/dbraw/zinc/11/67/92/1132116792.db2.gz AVTRMEKWDXNHFG-MSOLQXFVSA-N 2 2 299.462 3.711 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000179421069 260048246 /nfs/dbraw/zinc/04/82/46/260048246.db2.gz YYEOFEBGHZMNAN-YJBOKZPZSA-N 2 2 284.447 3.783 20 30 CHEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174266077 261181333 /nfs/dbraw/zinc/18/13/33/261181333.db2.gz WSDBOSQTUQHEMW-SFHVURJKSA-N 2 2 299.462 3.571 20 30 CHEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174266077 261181335 /nfs/dbraw/zinc/18/13/35/261181335.db2.gz WSDBOSQTUQHEMW-SFHVURJKSA-N 2 2 299.462 3.571 20 30 CHEDLP C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000340446008 263152510 /nfs/dbraw/zinc/15/25/10/263152510.db2.gz MYBODIMZMNOXSF-AYBZRNKSSA-N 2 2 297.446 3.636 20 30 CHEDLP C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000340446008 263152511 /nfs/dbraw/zinc/15/25/11/263152511.db2.gz MYBODIMZMNOXSF-AYBZRNKSSA-N 2 2 297.446 3.636 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2F)CC1 ZINC000177909435 329189906 /nfs/dbraw/zinc/18/99/06/329189906.db2.gz BSFVPXFHGAVHLI-QGZVFWFLSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000177904614 329190005 /nfs/dbraw/zinc/19/00/05/329190005.db2.gz QVDADZMPRCHGHJ-MRXNPFEDSA-N 2 2 272.436 3.604 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000177907544 329190025 /nfs/dbraw/zinc/19/00/25/329190025.db2.gz MJXQMSAVJSGPPA-INIZCTEOSA-N 2 2 288.435 3.533 20 30 CHEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2F)CC1 ZINC000180490227 329220001 /nfs/dbraw/zinc/22/00/01/329220001.db2.gz SBFAZDCURVXYPQ-SFHVURJKSA-N 2 2 290.426 3.907 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189169222 329377828 /nfs/dbraw/zinc/37/78/28/329377828.db2.gz CVNXEMQTTUQYOY-ICSRJNTNSA-N 2 2 298.474 3.638 20 30 CHEDLP C=CCC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000119915971 330380147 /nfs/dbraw/zinc/38/01/47/330380147.db2.gz XULXVIPNBLBZLA-INIZCTEOSA-N 2 2 283.419 3.679 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000120463544 330388232 /nfs/dbraw/zinc/38/82/32/330388232.db2.gz JGMGZOFDDZCUJK-KRWDZBQOSA-N 2 2 281.403 3.707 20 30 CHEDLP C=CCC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000120542773 330389432 /nfs/dbraw/zinc/38/94/32/330389432.db2.gz DMYTWBXATOSEBO-HNNXBMFYSA-N 2 2 283.419 3.830 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000482632041 331841309 /nfs/dbraw/zinc/84/13/09/331841309.db2.gz PEWVLVLYCZZCTH-HNNXBMFYSA-N 2 2 290.426 3.744 20 30 CHEDLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000185754462 333148123 /nfs/dbraw/zinc/14/81/23/333148123.db2.gz LEBCIPJIOGYQHK-UHOSZYNNSA-N 2 2 299.462 3.524 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000177313473 1126799315 /nfs/dbraw/zinc/79/93/15/1126799315.db2.gz ZJZQRWNDSGGEEL-CYBMUJFWSA-N 2 2 278.827 3.641 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000349788221 1127160805 /nfs/dbraw/zinc/16/08/05/1127160805.db2.gz KSUIXQVWCSXTPI-LJQANCHMSA-N 2 2 298.474 3.921 20 30 CHEDLP CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594520925 1127421892 /nfs/dbraw/zinc/42/18/92/1127421892.db2.gz RQGOVEJYWCUFTB-FHWLQOOXSA-N 2 2 297.446 3.616 20 30 CHEDLP CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594520925 1127421893 /nfs/dbraw/zinc/42/18/93/1127421893.db2.gz RQGOVEJYWCUFTB-FHWLQOOXSA-N 2 2 297.446 3.616 20 30 CHEDLP C=CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000684110645 1118522226 /nfs/dbraw/zinc/52/22/26/1118522226.db2.gz QBJHCPYFCLOUBN-QGZVFWFLSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000684110645 1118522229 /nfs/dbraw/zinc/52/22/29/1118522229.db2.gz QBJHCPYFCLOUBN-QGZVFWFLSA-N 2 2 272.436 3.595 20 30 CHEDLP C=CCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000657702250 1119257798 /nfs/dbraw/zinc/25/77/98/1119257798.db2.gz IGZZGHIBFCUKOS-UHFFFAOYSA-N 2 2 287.432 3.912 20 30 CHEDLP C=C(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000187773688 1119263089 /nfs/dbraw/zinc/26/30/89/1119263089.db2.gz UBGVSQNANALHOA-YOEHRIQHSA-N 2 2 294.389 3.656 20 30 CHEDLP C=C(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000187773688 1119263090 /nfs/dbraw/zinc/26/30/90/1119263090.db2.gz UBGVSQNANALHOA-YOEHRIQHSA-N 2 2 294.389 3.656 20 30 CHEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccco1 ZINC000375840804 1119766717 /nfs/dbraw/zinc/76/67/17/1119766717.db2.gz QGFZXYBMEPJCDL-HOTGVXAUSA-N 2 2 299.418 3.959 20 30 CHEDLP CCCCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201797972 1123150091 /nfs/dbraw/zinc/15/00/91/1123150091.db2.gz JNMBPOIHKIYNOE-MRXNPFEDSA-N 2 2 276.424 3.814 20 30 CHEDLP CCCCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201797972 1123150095 /nfs/dbraw/zinc/15/00/95/1123150095.db2.gz JNMBPOIHKIYNOE-MRXNPFEDSA-N 2 2 276.424 3.814 20 30 CHEDLP CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201852727 1123152548 /nfs/dbraw/zinc/15/25/48/1123152548.db2.gz IGQWXOYFCWHXIZ-IAGOWNOFSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201852727 1123152550 /nfs/dbraw/zinc/15/25/50/1123152550.db2.gz IGQWXOYFCWHXIZ-IAGOWNOFSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201852727 1123152551 /nfs/dbraw/zinc/15/25/51/1123152551.db2.gz IGQWXOYFCWHXIZ-IAGOWNOFSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201852727 1123152553 /nfs/dbraw/zinc/15/25/53/1123152553.db2.gz IGQWXOYFCWHXIZ-IAGOWNOFSA-N 2 2 266.473 3.763 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227688 1123851649 /nfs/dbraw/zinc/85/16/49/1123851649.db2.gz FWFCSASVSPCQBA-AEFFLSMTSA-N 2 2 296.499 3.578 20 30 CHEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897227688 1123851652 /nfs/dbraw/zinc/85/16/52/1123851652.db2.gz FWFCSASVSPCQBA-AEFFLSMTSA-N 2 2 296.499 3.578 20 30 CHEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805384 1124015565 /nfs/dbraw/zinc/01/55/65/1124015565.db2.gz YTWDNZAOCIKMRF-KRWDZBQOSA-N 2 2 291.483 3.703 20 30 CHEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805384 1124015570 /nfs/dbraw/zinc/01/55/70/1124015570.db2.gz YTWDNZAOCIKMRF-KRWDZBQOSA-N 2 2 291.483 3.703 20 30 CHEDLP C=CCCCC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000449157141 1124658233 /nfs/dbraw/zinc/65/82/33/1124658233.db2.gz UODPFVBTPHLIKQ-INIZCTEOSA-N 2 2 296.499 3.600 20 30 CHEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000872140471 1124695724 /nfs/dbraw/zinc/69/57/24/1124695724.db2.gz OHDGOMDLWPRMNX-BQFCYCMXSA-N 2 2 293.414 3.715 20 30 CHEDLP C=CCCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000880389441 1125270926 /nfs/dbraw/zinc/27/09/26/1125270926.db2.gz URHFYSGRQPZWIO-KRWDZBQOSA-N 2 2 269.392 3.570 20 30 CHEDLP CCCCCCC[C@H](CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172508691 1132257793 /nfs/dbraw/zinc/25/77/93/1132257793.db2.gz MTTFMKYAFHLKPX-KRWDZBQOSA-N 2 2 298.515 3.562 20 30 CHEDLP C[N@@H+]1CCC[C@H](C[NH+](CCC#N)C2CCCCCCC2)C1 ZINC001208609953 1133918444 /nfs/dbraw/zinc/91/84/44/1133918444.db2.gz XPQQZKNHTZVUSV-KRWDZBQOSA-N 2 2 291.483 3.657 20 30 CHEDLP C[N@H+]1CCC[C@H](C[NH+](CCC#N)C2CCCCCCC2)C1 ZINC001208609953 1133918447 /nfs/dbraw/zinc/91/84/47/1133918447.db2.gz XPQQZKNHTZVUSV-KRWDZBQOSA-N 2 2 291.483 3.657 20 30 CHEDLP C[NH+]1CCC[C@H](C[N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001208609953 1133918451 /nfs/dbraw/zinc/91/84/51/1133918451.db2.gz XPQQZKNHTZVUSV-KRWDZBQOSA-N 2 2 291.483 3.657 20 30 CHEDLP C[NH+]1CCC[C@H](C[N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001208609953 1133918455 /nfs/dbraw/zinc/91/84/55/1133918455.db2.gz XPQQZKNHTZVUSV-KRWDZBQOSA-N 2 2 291.483 3.657 20 30 CHEDLP C[N@@H+]1CCC[C@@H](C[NH+](CCC#N)C2CCCCCCC2)C1 ZINC001208609963 1133919031 /nfs/dbraw/zinc/91/90/31/1133919031.db2.gz XPQQZKNHTZVUSV-QGZVFWFLSA-N 2 2 291.483 3.657 20 30 CHEDLP C[N@H+]1CCC[C@@H](C[NH+](CCC#N)C2CCCCCCC2)C1 ZINC001208609963 1133919033 /nfs/dbraw/zinc/91/90/33/1133919033.db2.gz XPQQZKNHTZVUSV-QGZVFWFLSA-N 2 2 291.483 3.657 20 30 CHEDLP C[NH+]1CCC[C@@H](C[N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001208609963 1133919037 /nfs/dbraw/zinc/91/90/37/1133919037.db2.gz XPQQZKNHTZVUSV-QGZVFWFLSA-N 2 2 291.483 3.657 20 30 CHEDLP C[NH+]1CCC[C@@H](C[N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001208609963 1133919043 /nfs/dbraw/zinc/91/90/43/1133919043.db2.gz XPQQZKNHTZVUSV-QGZVFWFLSA-N 2 2 291.483 3.657 20 30 CHEDLP C=CCCCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209439273 1134020595 /nfs/dbraw/zinc/02/05/95/1134020595.db2.gz LUESVEGHLFPWCG-KRWDZBQOSA-N 2 2 264.457 3.683 20 30 CHEDLP C=CCCCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001209439273 1134020601 /nfs/dbraw/zinc/02/06/01/1134020601.db2.gz LUESVEGHLFPWCG-KRWDZBQOSA-N 2 2 264.457 3.683 20 30 CHEDLP C=CCCCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209439273 1134020589 /nfs/dbraw/zinc/02/05/89/1134020589.db2.gz LUESVEGHLFPWCG-KRWDZBQOSA-N 2 2 264.457 3.683 20 30 CHEDLP C=CCCCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209439273 1134020591 /nfs/dbraw/zinc/02/05/91/1134020591.db2.gz LUESVEGHLFPWCG-KRWDZBQOSA-N 2 2 264.457 3.683 20 30 CHEDLP CCCCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192061 1135206318 /nfs/dbraw/zinc/20/63/18/1135206318.db2.gz SQACHJWGTFJKKP-INIZCTEOSA-N 2 2 252.446 3.565 20 30 CHEDLP CCCCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192061 1135206322 /nfs/dbraw/zinc/20/63/22/1135206322.db2.gz SQACHJWGTFJKKP-INIZCTEOSA-N 2 2 252.446 3.565 20 30 CHEDLP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC(C)(C)C#N ZINC000411793688 262706705 /nfs/dbraw/zinc/70/67/05/262706705.db2.gz QIKCNKMUMZYLLP-UHFFFAOYSA-N 2 2 299.462 3.654 20 30 CHEDLP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC(C)(C)C#N ZINC000411793688 262706706 /nfs/dbraw/zinc/70/67/06/262706706.db2.gz QIKCNKMUMZYLLP-UHFFFAOYSA-N 2 2 299.462 3.654 20 30 CHEDLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCC[C@H](C#N)C3)cc2)c1C ZINC000291235298 263120813 /nfs/dbraw/zinc/12/08/13/263120813.db2.gz KTYYKRNQMVMECO-RDJZCZTQSA-N 2 2 294.402 3.983 20 30 CHEDLP Cc1ccc(CCC[N@H+](CCC#N)CCC(C)C)c[nH+]1 ZINC000353630030 263279573 /nfs/dbraw/zinc/27/95/73/263279573.db2.gz WZHISRKEFAMOTP-UHFFFAOYSA-N 2 2 273.424 3.584 20 30 CHEDLP Cc1ccc(CCC[N@@H+](CCC#N)CCC(C)C)c[nH+]1 ZINC000353630030 263279576 /nfs/dbraw/zinc/27/95/76/263279576.db2.gz WZHISRKEFAMOTP-UHFFFAOYSA-N 2 2 273.424 3.584 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000177907906 329189785 /nfs/dbraw/zinc/18/97/85/329189785.db2.gz RNLHZJVKTJFNAW-INIZCTEOSA-N 2 2 272.436 3.604 20 30 CHEDLP C=CCC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000269675256 330070146 /nfs/dbraw/zinc/07/01/46/330070146.db2.gz HARODCQIRNUHMD-IBGZPJMESA-N 2 2 295.430 3.766 20 30 CHEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000564148053 333113166 /nfs/dbraw/zinc/11/31/66/333113166.db2.gz LNLVUHGVSYEDFJ-GVDBMIGSSA-N 2 2 274.452 3.697 20 30 CHEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000564148053 333113167 /nfs/dbraw/zinc/11/31/67/333113167.db2.gz LNLVUHGVSYEDFJ-GVDBMIGSSA-N 2 2 274.452 3.697 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236161 1130725702 /nfs/dbraw/zinc/72/57/02/1130725702.db2.gz UOXRLWICBJPRET-SJORKVTESA-N 2 2 264.457 3.729 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236161 1130725706 /nfs/dbraw/zinc/72/57/06/1130725706.db2.gz UOXRLWICBJPRET-SJORKVTESA-N 2 2 264.457 3.729 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450899 1126906959 /nfs/dbraw/zinc/90/69/59/1126906959.db2.gz CZBVJZVBPVHICV-SUYBPPKGSA-N 2 2 294.389 3.654 20 30 CHEDLP C=C(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186450899 1126906960 /nfs/dbraw/zinc/90/69/60/1126906960.db2.gz CZBVJZVBPVHICV-SUYBPPKGSA-N 2 2 294.389 3.654 20 30 CHEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000374575734 1127904339 /nfs/dbraw/zinc/90/43/39/1127904339.db2.gz MZGRJYGLMJFFTG-CVEARBPZSA-N 2 2 275.440 3.793 20 30 CHEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000130509450 1128585227 /nfs/dbraw/zinc/58/52/27/1128585227.db2.gz YWCQKJCDPMSSSD-AEFFLSMTSA-N 2 2 272.436 3.768 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cc(C)ccc2C)CC1 ZINC000623889053 1117952251 /nfs/dbraw/zinc/95/22/51/1117952251.db2.gz BPVGEHQZHOXWDG-LJQANCHMSA-N 2 2 286.463 3.995 20 30 CHEDLP C=CCCCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209433507 1118055085 /nfs/dbraw/zinc/05/50/85/1118055085.db2.gz YYTSXRQRMVYVOK-UHFFFAOYSA-N 2 2 252.446 3.537 20 30 CHEDLP C=CCCCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209433507 1118055080 /nfs/dbraw/zinc/05/50/80/1118055080.db2.gz YYTSXRQRMVYVOK-UHFFFAOYSA-N 2 2 252.446 3.537 20 30 CHEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663316018 1118904292 /nfs/dbraw/zinc/90/42/92/1118904292.db2.gz RYSOYZRIJLWCCH-UHFFFAOYSA-N 2 2 272.436 3.550 20 30 CHEDLP C=CCc1cc(C)c[nH+]c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626124 1119234981 /nfs/dbraw/zinc/23/49/81/1119234981.db2.gz ZQHHMZFEWLZMQV-UHFFFAOYSA-N 2 2 287.451 3.603 20 30 CHEDLP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000651673692 1120708156 /nfs/dbraw/zinc/70/81/56/1120708156.db2.gz TYIMGHQRFKTJOF-VQIMIIECSA-N 2 2 295.430 3.766 20 30 CHEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC001196058133 1122902621 /nfs/dbraw/zinc/90/26/21/1122902621.db2.gz XJNVFSFZCLZGID-SQNIBIBYSA-N 2 2 278.484 3.974 20 30 CHEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001196058133 1122902625 /nfs/dbraw/zinc/90/26/25/1122902625.db2.gz XJNVFSFZCLZGID-SQNIBIBYSA-N 2 2 278.484 3.974 20 30 CHEDLP CCCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001201839730 1123154910 /nfs/dbraw/zinc/15/49/10/1123154910.db2.gz INKFJZBFKGPLRP-CVEARBPZSA-N 2 2 252.446 3.515 20 30 CHEDLP CCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001201839730 1123154913 /nfs/dbraw/zinc/15/49/13/1123154913.db2.gz INKFJZBFKGPLRP-CVEARBPZSA-N 2 2 252.446 3.515 20 30 CHEDLP CCCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001201839730 1123154915 /nfs/dbraw/zinc/15/49/15/1123154915.db2.gz INKFJZBFKGPLRP-CVEARBPZSA-N 2 2 252.446 3.515 20 30 CHEDLP CCCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001201839730 1123154917 /nfs/dbraw/zinc/15/49/17/1123154917.db2.gz INKFJZBFKGPLRP-CVEARBPZSA-N 2 2 252.446 3.515 20 30 CHEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246089452 1131299611 /nfs/dbraw/zinc/29/96/11/1131299611.db2.gz CXKJHBUITYXRRG-XHSDSOJGSA-N 2 2 272.452 3.805 20 30 CHEDLP C=CCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568995 1125280772 /nfs/dbraw/zinc/28/07/72/1125280772.db2.gz GIAZIZMNSCUFMP-QGZVFWFLSA-N 2 2 269.392 3.570 20 30 CHEDLP C=CCCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883217241 1125378943 /nfs/dbraw/zinc/37/89/43/1125378943.db2.gz DZEWDNZTJHXNEM-MSOLQXFVSA-N 2 2 295.430 3.885 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000645407963 1129497372 /nfs/dbraw/zinc/49/73/72/1129497372.db2.gz GZLHGFROLUUORS-QGZVFWFLSA-N 2 2 276.468 3.729 20 30 CHEDLP CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246216860 1131405362 /nfs/dbraw/zinc/40/53/62/1131405362.db2.gz JFWSUTQSCCZQHC-BZUAXINKSA-N 2 2 272.452 3.805 20 30 CHEDLP C=CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910592 1130804405 /nfs/dbraw/zinc/80/44/05/1130804405.db2.gz VVBDJGHBLYUABT-JKSUJKDBSA-N 2 2 270.436 3.664 20 30 CHEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910592 1130804412 /nfs/dbraw/zinc/80/44/12/1130804412.db2.gz VVBDJGHBLYUABT-JKSUJKDBSA-N 2 2 270.436 3.664 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001222422051 1135239454 /nfs/dbraw/zinc/23/94/54/1135239454.db2.gz QSJSYUHJKTWTCD-QZTJIDSGSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001222422051 1135239458 /nfs/dbraw/zinc/23/94/58/1135239458.db2.gz QSJSYUHJKTWTCD-QZTJIDSGSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001222422050 1135239930 /nfs/dbraw/zinc/23/99/30/1135239930.db2.gz QSJSYUHJKTWTCD-MSOLQXFVSA-N 2 2 274.452 3.507 20 30 CHEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001222422050 1135239934 /nfs/dbraw/zinc/23/99/34/1135239934.db2.gz QSJSYUHJKTWTCD-MSOLQXFVSA-N 2 2 274.452 3.507 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2ccsc2)CC1 ZINC000187705629 260052609 /nfs/dbraw/zinc/05/26/09/260052609.db2.gz KLFASDOIFAXKKA-INIZCTEOSA-N 2 2 278.465 3.829 20 30 CHEDLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000290509333 263117223 /nfs/dbraw/zinc/11/72/23/263117223.db2.gz WXLUHYPYEUOWGN-IBGZPJMESA-N 2 2 293.414 3.957 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000177906442 329189765 /nfs/dbraw/zinc/18/97/65/329189765.db2.gz GXQKLMVMNKNPLV-NSHDSACASA-N 2 2 284.856 3.703 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173398156 329147811 /nfs/dbraw/zinc/14/78/11/329147811.db2.gz OTIQDPFICHPHOU-CQSZACIVSA-N 2 2 290.476 3.710 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C)cc2)CC1 ZINC000177905568 329189822 /nfs/dbraw/zinc/18/98/22/329189822.db2.gz SGENHZKPPYTPRJ-GOSISDBHSA-N 2 2 272.436 3.686 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000177913148 329189880 /nfs/dbraw/zinc/18/98/80/329189880.db2.gz RZQPJSAQWDJQQQ-OAHLLOKOSA-N 2 2 295.430 3.536 20 30 CHEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272959080 330087619 /nfs/dbraw/zinc/08/76/19/330087619.db2.gz VZCRSXUIEROLKB-AWEZNQCLSA-N 2 2 292.854 3.859 20 30 CHEDLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(C#N)cc1 ZINC000423273226 330184828 /nfs/dbraw/zinc/18/48/28/330184828.db2.gz ITXZHGANEGNNRL-OAHLLOKOSA-N 2 2 285.435 3.521 20 30 CHEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1CC)C1CC1 ZINC000423506703 330208677 /nfs/dbraw/zinc/20/86/77/330208677.db2.gz PFROEHSLPHMCMO-QZTJIDSGSA-N 2 2 272.436 3.583 20 30 CHEDLP C=CCCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000536995737 330375363 /nfs/dbraw/zinc/37/53/63/330375363.db2.gz GBUWSGMCJDHFQV-BBWFWOEESA-N 2 2 264.457 3.678 20 30 CHEDLP C=CCCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000536995737 330375364 /nfs/dbraw/zinc/37/53/64/330375364.db2.gz GBUWSGMCJDHFQV-BBWFWOEESA-N 2 2 264.457 3.678 20 30 CHEDLP C=CCCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000536995737 330375365 /nfs/dbraw/zinc/37/53/65/330375365.db2.gz GBUWSGMCJDHFQV-BBWFWOEESA-N 2 2 264.457 3.678 20 30 CHEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000536995737 330375366 /nfs/dbraw/zinc/37/53/66/330375366.db2.gz GBUWSGMCJDHFQV-BBWFWOEESA-N 2 2 264.457 3.678 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000543403206 333871162 /nfs/dbraw/zinc/87/11/62/333871162.db2.gz QIYAEHYGLZNMMO-OAHLLOKOSA-N 2 2 264.457 3.585 20 30 CHEDLP C=CCC[C@H](CC)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050556 334356365 /nfs/dbraw/zinc/35/63/65/334356365.db2.gz SIXKLQAECYMJJK-HNNXBMFYSA-N 2 2 285.435 3.840 20 30 CHEDLP C=CCCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000568237771 334807324 /nfs/dbraw/zinc/80/73/24/334807324.db2.gz FXHMKQQGWFYNAI-UHFFFAOYSA-N 2 2 275.421 3.770 20 30 CHEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000349449463 526454658 /nfs/dbraw/zinc/45/46/58/526454658.db2.gz GCLJPGIBBWPBNC-SFHVURJKSA-N 2 2 288.435 3.669 20 30 CHEDLP