smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209441219 1118060416 /nfs/dbraw/zinc/06/04/16/1118060416.db2.gz VQKYDAQZDSMQCX-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP CCCCCCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201852669 1123151894 /nfs/dbraw/zinc/15/18/94/1123151894.db2.gz GYAYVMHHWORKDC-CALCHBBNSA-N 2 0 266.473 3.621 20 30 CHEDRP C#CCCCCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000877674027 1125062834 /nfs/dbraw/zinc/06/28/34/1125062834.db2.gz LJXVMOCGOALOBA-UHFFFAOYSA-N 2 0 276.468 3.520 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245726945 1125592275 /nfs/dbraw/zinc/59/22/75/1125592275.db2.gz PQLUOSOQHOMLRS-OQIJWPOYSA-N 2 0 284.447 3.736 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886618627 1125697946 /nfs/dbraw/zinc/69/79/46/1125697946.db2.gz GHVPDIXMEMEEGF-UHFFFAOYSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[C@@H](CC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886604905 1125697158 /nfs/dbraw/zinc/69/71/58/1125697158.db2.gz FWICRHZKQXXHNM-KLAILNCOSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000793526335 1130564879 /nfs/dbraw/zinc/56/48/79/1130564879.db2.gz QPQLMGWVZLHMEY-HZPDHXFCSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668435228 1126885577 /nfs/dbraw/zinc/88/55/77/1126885577.db2.gz AKZYQIBMPWUBBT-QFBILLFUSA-N 2 0 299.462 3.775 20 30 CHEDRP C[C@@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185852054 1126903788 /nfs/dbraw/zinc/90/37/88/1126903788.db2.gz GDZNIBWUCBHKQW-YTQUADARSA-N 2 0 299.462 3.569 20 30 CHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185881556 1126904996 /nfs/dbraw/zinc/90/49/96/1126904996.db2.gz FLFUXNRGJRKBRA-QFBILLFUSA-N 2 0 299.462 3.699 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000595053155 1127451275 /nfs/dbraw/zinc/45/12/75/1127451275.db2.gz WEIHYPSZXYRVMX-HOTGVXAUSA-N 2 0 296.524 3.538 20 30 CHEDRP CC[N@H+](CCC[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602700777 1127607101 /nfs/dbraw/zinc/60/71/01/1127607101.db2.gz WKVQOXYRVHMCAV-UHFFFAOYSA-N 2 0 291.483 3.703 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411303202 1127852668 /nfs/dbraw/zinc/85/26/68/1127852668.db2.gz UYANXCPIFLYTEX-KRWDZBQOSA-N 2 0 291.483 3.514 20 30 CHEDRP C[C@H](CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000411350611 1127856490 /nfs/dbraw/zinc/85/64/90/1127856490.db2.gz SGQUCFVWBHJBBS-DLBZAZTESA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540147720 1127962456 /nfs/dbraw/zinc/96/24/56/1127962456.db2.gz PWPVSUASAPKXII-FUHWJXTLSA-N 2 0 278.484 3.689 20 30 CHEDRP C=C(CC)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469766304 1128052906 /nfs/dbraw/zinc/05/29/06/1128052906.db2.gz DCPLLAGMWPLUKR-IRXDYDNUSA-N 2 0 286.463 3.699 20 30 CHEDRP C=C(CC)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469766302 1128053014 /nfs/dbraw/zinc/05/30/14/1128053014.db2.gz DCPLLAGMWPLUKR-DZFIZOCASA-N 2 0 286.463 3.699 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925050803 1128120004 /nfs/dbraw/zinc/12/00/04/1128120004.db2.gz VUZUUYRCSBJCEN-INIZCTEOSA-N 2 0 279.472 3.561 20 30 CHEDRP N#CC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925705870 1128137941 /nfs/dbraw/zinc/13/79/41/1128137941.db2.gz IPNQWYMSZCGJEG-QGZVFWFLSA-N 2 0 285.435 3.530 20 30 CHEDRP C=CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925764874 1128141153 /nfs/dbraw/zinc/14/11/53/1128141153.db2.gz KFWQRSZITXZKBA-SWDXFRIISA-N 2 0 284.447 3.957 20 30 CHEDRP C=C(C)CN1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000152999382 1128169048 /nfs/dbraw/zinc/16/90/48/1128169048.db2.gz RGIIUWWRTHITIH-UHFFFAOYSA-N 2 0 264.457 3.729 20 30 CHEDRP C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926357596 1128169655 /nfs/dbraw/zinc/16/96/55/1128169655.db2.gz YFJCTDQNQRDURR-GTPINHCMSA-N 2 0 299.462 3.729 20 30 CHEDRP C[NH+](C)CCC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929328681 1128270232 /nfs/dbraw/zinc/27/02/32/1128270232.db2.gz ZWVZAXIXUQIWOR-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP C=CCC[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258013 1128561587 /nfs/dbraw/zinc/56/15/87/1128561587.db2.gz DPDSAOPRBYXCLK-IRXDYDNUSA-N 2 0 290.451 3.997 20 30 CHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000930117555 1128664507 /nfs/dbraw/zinc/66/45/07/1128664507.db2.gz QGJGYWONXCLLLC-UHFFFAOYSA-N 2 0 299.462 3.510 20 30 CHEDRP CCCCCCC[C@H](C)[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001258051218 1128698851 /nfs/dbraw/zinc/69/88/51/1128698851.db2.gz CLGBRZKRHQOTGC-ULQDDVLXSA-N 2 0 266.473 3.619 20 30 CHEDRP CCCCCCC[C@H](C)[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001258051217 1128698854 /nfs/dbraw/zinc/69/88/54/1128698854.db2.gz CLGBRZKRHQOTGC-GVDBMIGSSA-N 2 0 266.473 3.619 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770105 1117856084 /nfs/dbraw/zinc/85/60/84/1117856084.db2.gz QUTPQZLUFVMDQK-DLBZAZTESA-N 2 0 266.473 3.962 20 30 CHEDRP C=CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001167255914 1118123438 /nfs/dbraw/zinc/12/34/38/1118123438.db2.gz QBBQRBAKFGHODA-GOSISDBHSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000471610785 1118493486 /nfs/dbraw/zinc/49/34/86/1118493486.db2.gz NVBBXDIKSFUDLD-AEFFLSMTSA-N 2 0 278.484 3.975 20 30 CHEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000187702876 1118931321 /nfs/dbraw/zinc/93/13/21/1118931321.db2.gz WVTWLIRFPGEXRD-MRXNPFEDSA-N 2 0 299.462 3.673 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245921277 1119385910 /nfs/dbraw/zinc/38/59/10/1119385910.db2.gz GKRWDJQSJKLZBP-SJLPKXTDSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccco1 ZINC000650757067 1119414981 /nfs/dbraw/zinc/41/49/81/1119414981.db2.gz NZUSNXLQSHJVLM-QGZVFWFLSA-N 2 0 284.403 3.796 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000658029809 1119667021 /nfs/dbraw/zinc/66/70/21/1119667021.db2.gz AXKSAZRBAOJYQJ-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000181511302 1128883696 /nfs/dbraw/zinc/88/36/96/1128883696.db2.gz DWPYRIXZAYGNAV-SJORKVTESA-N 2 0 299.462 3.863 20 30 CHEDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903778168 1120189626 /nfs/dbraw/zinc/18/96/26/1120189626.db2.gz JVFQKLLWHBVDKF-SFHVURJKSA-N 2 0 291.483 3.547 20 30 CHEDRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763663 1128902757 /nfs/dbraw/zinc/90/27/57/1128902757.db2.gz ARQXOPVLXQKVPP-PBHICJAKSA-N 2 0 287.451 3.575 20 30 CHEDRP C=C(C)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000508976503 1120568510 /nfs/dbraw/zinc/56/85/10/1120568510.db2.gz HCZLCZSDUXRTGQ-IRXDYDNUSA-N 2 0 286.463 3.699 20 30 CHEDRP C=CC(C)(C)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925722487 1120720222 /nfs/dbraw/zinc/72/02/22/1120720222.db2.gz WHCRCXGMOCZWRI-INIZCTEOSA-N 2 0 260.425 3.659 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393448 1121576984 /nfs/dbraw/zinc/57/69/84/1121576984.db2.gz SRKBMOIIDUXUAR-IRXDYDNUSA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1CC1 ZINC000439005936 1122746534 /nfs/dbraw/zinc/74/65/34/1122746534.db2.gz WSBCBNRDZNDNJN-LJQANCHMSA-N 2 0 286.463 3.973 20 30 CHEDRP CCCCCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001201797623 1123150265 /nfs/dbraw/zinc/15/02/65/1123150265.db2.gz AAADAKFECYDZJD-UHFFFAOYSA-N 2 0 266.473 3.765 20 30 CHEDRP C=CCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168019847 1123411708 /nfs/dbraw/zinc/41/17/08/1123411708.db2.gz KMFGYOQOKDGJCY-IAGOWNOFSA-N 2 0 286.463 3.984 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009566 1123654526 /nfs/dbraw/zinc/65/45/26/1123654526.db2.gz XDGKVPYGWFGYQS-KRWDZBQOSA-N 2 0 266.473 3.835 20 30 CHEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449084785 1124644446 /nfs/dbraw/zinc/64/44/46/1124644446.db2.gz YTKDUQDRJUBISQ-AOCRQIFASA-N 2 0 291.483 3.561 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000449214209 1124670766 /nfs/dbraw/zinc/67/07/66/1124670766.db2.gz XUUCDIWARCUMPC-KLAILNCOSA-N 2 0 266.473 3.831 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246102678 1131321330 /nfs/dbraw/zinc/32/13/30/1131321330.db2.gz SMTSFTGEOAFAMW-ULQDDVLXSA-N 2 0 268.489 3.961 20 30 CHEDRP C=CCCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390894355 1125115778 /nfs/dbraw/zinc/11/57/78/1125115778.db2.gz JCWSKPKJTRNCMF-SFHVURJKSA-N 2 0 286.463 3.843 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000530714328 1125173728 /nfs/dbraw/zinc/17/37/28/1125173728.db2.gz DVQVFHVYUJGCEL-RBUKOAKNSA-N 2 0 299.462 3.548 20 30 CHEDRP C#CCCCCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879209339 1125203032 /nfs/dbraw/zinc/20/30/32/1125203032.db2.gz JIDRTWHHTWMTOY-UHFFFAOYSA-N 2 0 276.468 3.520 20 30 CHEDRP CC(C)(C#N)CCC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880571060 1125280562 /nfs/dbraw/zinc/28/05/62/1125280562.db2.gz NBIWSJSBWYOBLL-QGZVFWFLSA-N 2 0 296.418 3.544 20 30 CHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052208601 1125374924 /nfs/dbraw/zinc/37/49/24/1125374924.db2.gz INSLPWKLORHITF-UHFFFAOYSA-N 2 0 299.462 3.502 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753291 1129721707 /nfs/dbraw/zinc/72/17/07/1129721707.db2.gz KSBOXXOZVXHRLX-OAHLLOKOSA-N 2 0 264.388 3.509 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651790346 1129748832 /nfs/dbraw/zinc/74/88/32/1129748832.db2.gz TVGUNLZLGXBJQV-MISYRCLQSA-N 2 0 298.474 3.843 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC001246212684 1131401886 /nfs/dbraw/zinc/40/18/86/1131401886.db2.gz WGQKVDASCHGEMQ-JYJNAYRXSA-N 2 0 254.462 3.843 20 30 CHEDRP CCCCCCCCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001246217380 1131405498 /nfs/dbraw/zinc/40/54/98/1131405498.db2.gz FXZBVDBGZDFYIQ-KURKYZTESA-N 2 0 298.515 3.608 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902364225 1130003508 /nfs/dbraw/zinc/00/35/08/1130003508.db2.gz QEPMBNHRBGMOCG-BLLLJJGKSA-N 2 0 282.378 3.689 20 30 CHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(C=C2CC[NH2+]CC2)cc1 ZINC001240879633 1130500477 /nfs/dbraw/zinc/50/04/77/1130500477.db2.gz VKRJUGMGDBQTKV-IBGZPJMESA-N 2 0 282.431 3.776 20 30 CHEDRP C=CCCCCCCCN1CCCC[C@@]12CC[NH2+]C2 ZINC001235126578 1130712808 /nfs/dbraw/zinc/71/28/08/1130712808.db2.gz UPQOSVRQOKYYSU-KRWDZBQOSA-N 2 0 264.457 3.731 20 30 CHEDRP C=C(C)[C@@H]1CC=C(CN2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235126085 1130713714 /nfs/dbraw/zinc/71/37/14/1130713714.db2.gz RWIUBCLQMOZZPA-MSOLQXFVSA-N 2 0 274.452 3.507 20 30 CHEDRP C=CCCCCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233693 1130725725 /nfs/dbraw/zinc/72/57/25/1130725725.db2.gz RYSYSTJDMKUTLG-SFHVURJKSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235394232 1130739750 /nfs/dbraw/zinc/73/97/50/1130739750.db2.gz CONCELJABRLPHV-AFYXXPPBSA-N 2 0 296.474 3.912 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429802 1130744469 /nfs/dbraw/zinc/74/44/69/1130744469.db2.gz ZWAATVYUDDITOS-IAGOWNOFSA-N 2 0 266.473 3.668 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235662537 1130761765 /nfs/dbraw/zinc/76/17/65/1130761765.db2.gz JBZMUWIFQCVTFW-UHFFFAOYSA-N 2 0 274.452 3.735 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235661941 1130762765 /nfs/dbraw/zinc/76/27/65/1130762765.db2.gz ARQKUXXVNGJEGQ-UHFFFAOYSA-N 2 0 280.481 3.796 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710561 1130772253 /nfs/dbraw/zinc/77/22/53/1130772253.db2.gz AYOSEHYGBQKLPR-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001235750689 1130776134 /nfs/dbraw/zinc/77/61/34/1130776134.db2.gz RVBZDKUPPZSQIF-MRXNPFEDSA-N 2 0 254.462 3.798 20 30 CHEDRP C=CCCCCCCCC[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235761643 1130776466 /nfs/dbraw/zinc/77/64/66/1130776466.db2.gz NURZXZPRGXMPFG-UHFFFAOYSA-N 2 0 266.473 3.977 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC(C)([NH3+])CC1 ZINC001235748696 1130776625 /nfs/dbraw/zinc/77/66/25/1130776625.db2.gz MDZHVQUKOAEGHW-UHFFFAOYSA-N 2 0 252.446 3.716 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235893653 1130795754 /nfs/dbraw/zinc/79/57/54/1130795754.db2.gz YEPLBGIILYHAPP-HOTGVXAUSA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223339 1130896350 /nfs/dbraw/zinc/89/63/50/1130896350.db2.gz OXPMYYUBVRXMEQ-WKILWMFISA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCCCCCCCC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236224093 1130897442 /nfs/dbraw/zinc/89/74/42/1130897442.db2.gz RKGQJSOTAGUYDD-UHFFFAOYSA-N 2 0 266.473 3.977 20 30 CHEDRP C=CCCC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509388 1130959891 /nfs/dbraw/zinc/95/98/91/1130959891.db2.gz KMYCCGRLZPOCJK-UHFFFAOYSA-N 2 0 290.426 3.654 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236820005 1131014688 /nfs/dbraw/zinc/01/46/88/1131014688.db2.gz PJSSABSYPOYFOD-ACTMLHDOSA-N 2 0 264.457 3.572 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237060143 1131042825 /nfs/dbraw/zinc/04/28/25/1131042825.db2.gz XVRUUQBOZBAIKG-KRWDZBQOSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCCC[NH+]1CCC2(CC[C@H]2[NH3+])CC1 ZINC001237356965 1131090183 /nfs/dbraw/zinc/09/01/83/1131090183.db2.gz PUNWTVRUNMFANF-OAHLLOKOSA-N 2 0 252.446 3.550 20 30 CHEDRP CCCCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246546187 1131594301 /nfs/dbraw/zinc/59/43/01/1131594301.db2.gz ZNQFEGXSHLQWTD-VQHPVUNQSA-N 2 0 266.473 3.652 20 30 CHEDRP CCCC[NH+]1CCC(N(C)Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727183 1131632203 /nfs/dbraw/zinc/63/22/03/1131632203.db2.gz IDHUZKFTQQMCTM-UHFFFAOYSA-N 2 0 299.462 3.563 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000845928036 1131670926 /nfs/dbraw/zinc/67/09/26/1131670926.db2.gz MECJULHVLVFLJA-ZBFHGGJFSA-N 2 0 264.457 3.584 20 30 CHEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734089 1132030297 /nfs/dbraw/zinc/03/02/97/1132030297.db2.gz TWLNZMRWGVQKGE-OTWHNJEPSA-N 2 0 284.447 3.595 20 30 CHEDRP C=CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072902 1132121327 /nfs/dbraw/zinc/12/13/27/1132121327.db2.gz NVEZDDXVMVECFQ-REPLKXPHSA-N 2 0 284.447 3.738 20 30 CHEDRP CCC(CC)[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331438 1132463664 /nfs/dbraw/zinc/46/36/64/1132463664.db2.gz CHAWYUOOSRCQQH-UHFFFAOYSA-N 2 0 291.483 3.701 20 30 CHEDRP CC1(C#N)CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590795 1132496575 /nfs/dbraw/zinc/49/65/75/1132496575.db2.gz CJPMNYWWYWDFCW-SVOYEFRLSA-N 2 0 289.467 3.583 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC001205026675 1133518490 /nfs/dbraw/zinc/51/84/90/1133518490.db2.gz WCWCHQJEKDNFCQ-UHFFFAOYSA-N 2 0 266.473 3.964 20 30 CHEDRP C=CCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952156 1133967488 /nfs/dbraw/zinc/96/74/88/1133967488.db2.gz DAQHTFHWIHKSPW-IBGZPJMESA-N 2 0 286.463 3.797 20 30 CHEDRP C=CCCC[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001209160074 1133982391 /nfs/dbraw/zinc/98/23/91/1133982391.db2.gz CBEILVPEXSHFCH-UHFFFAOYSA-N 2 0 286.463 3.939 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476709 1134224908 /nfs/dbraw/zinc/22/49/08/1134224908.db2.gz YFTNSCBWTQNCID-MRXNPFEDSA-N 2 0 252.446 3.587 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222230968 1135211812 /nfs/dbraw/zinc/21/18/12/1135211812.db2.gz HWBQDIFWAJYORA-INIZCTEOSA-N 2 0 252.446 3.565 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258582 1135215814 /nfs/dbraw/zinc/21/58/14/1135215814.db2.gz DAJMVNIBOSOPCR-RTBURBONSA-N 2 0 288.479 3.755 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000582575958 329110193 /nfs/dbraw/zinc/11/01/93/329110193.db2.gz OFZMUVONYKKOCK-HNNXBMFYSA-N 2 0 284.513 3.538 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000423296765 330188767 /nfs/dbraw/zinc/18/87/67/330188767.db2.gz ZTAHEBVEUBCDJX-GUYCJALGSA-N 2 0 258.409 3.541 20 30 CHEDRP C=CCCC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000536995042 330375296 /nfs/dbraw/zinc/37/52/96/330375296.db2.gz KKCJKCBPTPARBP-INIZCTEOSA-N 2 0 264.457 3.682 20 30 CHEDRP C=CCCC[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000537045992 330394113 /nfs/dbraw/zinc/39/41/13/330394113.db2.gz KRRISYGYZKDMNC-INIZCTEOSA-N 2 0 266.473 3.785 20 30 CHEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000467412773 331418166 /nfs/dbraw/zinc/41/81/66/331418166.db2.gz UJMCNYBRKWUZSQ-DOTOQJQBSA-N 2 0 290.451 3.632 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935796 333240448 /nfs/dbraw/zinc/24/04/48/333240448.db2.gz UYQSYXVLQIXNQG-RTBURBONSA-N 2 0 286.463 3.843 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000193442307 333250267 /nfs/dbraw/zinc/25/02/67/333250267.db2.gz NMZDLACYLKVDEN-AEFFLSMTSA-N 2 0 276.468 3.682 20 30 CHEDRP C=CCCCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549376 333252866 /nfs/dbraw/zinc/25/28/66/333252866.db2.gz QZZHWEWDMIJGNB-SJORKVTESA-N 2 0 278.484 3.975 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000245870472 334222204 /nfs/dbraw/zinc/22/22/04/334222204.db2.gz JHXGMLREGDUDCP-DLBZAZTESA-N 2 0 299.462 3.721 20 30 CHEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249114812 334328182 /nfs/dbraw/zinc/32/81/82/334328182.db2.gz RXFSAGIOLFGOGX-JENIJYKNSA-N 2 0 286.463 3.699 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000553104351 334361783 /nfs/dbraw/zinc/36/17/83/334361783.db2.gz VXIZBARVQFVZJB-OAHLLOKOSA-N 2 0 266.473 3.974 20 30 CHEDRP C=C(C)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577735020 335394410 /nfs/dbraw/zinc/39/44/10/335394410.db2.gz RVBUKEWGFDAPFR-INIZCTEOSA-N 2 0 292.492 3.776 20 30 CHEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181979955 335793356 /nfs/dbraw/zinc/79/33/56/335793356.db2.gz LYNIEECHAXELEI-QGZVFWFLSA-N 2 0 299.462 3.865 20 30 CHEDRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000278852040 522559562 /nfs/dbraw/zinc/55/95/62/522559562.db2.gz VQRODPJVHFEVKJ-SFHVURJKSA-N 2 0 299.462 3.862 20 30 CHEDRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000278629089 522563041 /nfs/dbraw/zinc/56/30/41/522563041.db2.gz GSKPLBJBIUXAQE-IBGZPJMESA-N 2 0 297.446 3.616 20 30 CHEDRP CCCCCCCC[NH+]1CCC([N@H+](C)CC)CC1 ZINC001201840189 1123155347 /nfs/dbraw/zinc/15/53/47/1123155347.db2.gz OJAOVNZHYVAFDO-UHFFFAOYSA-N 2 0 254.462 3.763 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172347484 1132180673 /nfs/dbraw/zinc/18/06/73/1132180673.db2.gz VWHAWUYDEFCUJY-ARFHVFGLSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172347485 1132180748 /nfs/dbraw/zinc/18/07/48/1132180748.db2.gz VWHAWUYDEFCUJY-HRCADAONSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257219 1133551021 /nfs/dbraw/zinc/55/10/21/1133551021.db2.gz UEELFVPYDLYNSD-MRXNPFEDSA-N 2 0 254.462 3.940 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245726941 1125592091 /nfs/dbraw/zinc/59/20/91/1125592091.db2.gz PQLUOSOQHOMLRS-KANFNMMFSA-N 2 0 284.447 3.736 20 30 CHEDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000181512453 1126856694 /nfs/dbraw/zinc/85/66/94/1126856694.db2.gz VULBEBXNZWHZFH-KRWDZBQOSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991481 1130701143 /nfs/dbraw/zinc/70/11/43/1130701143.db2.gz GHBFRGNFNDAIMU-GOSISDBHSA-N 2 0 278.484 3.979 20 30 CHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185881582 1126904970 /nfs/dbraw/zinc/90/49/70/1126904970.db2.gz FLFUXNRGJRKBRA-LPHOPBHVSA-N 2 0 299.462 3.699 20 30 CHEDRP C=CCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000486807037 1127005018 /nfs/dbraw/zinc/00/50/18/1127005018.db2.gz DCTKHLCDCUOXHT-UHFFFAOYSA-N 2 0 264.457 3.683 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC12CC[NH2+]CC2 ZINC000718613189 1127266908 /nfs/dbraw/zinc/26/69/08/1127266908.db2.gz SQSPLZUQVMKBSW-UHFFFAOYSA-N 2 0 252.446 3.565 20 30 CHEDRP CC(C)[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCCC1 ZINC000602512521 1127589809 /nfs/dbraw/zinc/58/98/09/1127589809.db2.gz WIJBIESOVGMGQB-ABHNRTSZSA-N 2 0 291.483 3.559 20 30 CHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602537109 1127592081 /nfs/dbraw/zinc/59/20/81/1127592081.db2.gz ZELSNPFVOMJPBJ-UHFFFAOYSA-N 2 0 299.462 3.699 20 30 CHEDRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](C)CCC#N ZINC000602591279 1127594851 /nfs/dbraw/zinc/59/48/51/1127594851.db2.gz FYKZSAQVHHYDMO-MRXNPFEDSA-N 2 0 287.451 3.556 20 30 CHEDRP CCC#C[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001168414588 1127648865 /nfs/dbraw/zinc/64/88/65/1127648865.db2.gz QOVKNQCZWNTSPU-SFHVURJKSA-N 2 0 292.511 3.868 20 30 CHEDRP C=CCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000605150342 1127731152 /nfs/dbraw/zinc/73/11/52/1127731152.db2.gz JYOSGFCFLZRENK-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545271818 1128009546 /nfs/dbraw/zinc/00/95/46/1128009546.db2.gz KMYRWSRXGSQKEC-UHOSZYNNSA-N 2 0 286.463 3.841 20 30 CHEDRP C=C(C)C[N@H+](CC)CCCC1CC[NH+](CC(=C)C)CC1 ZINC000499251514 1128665579 /nfs/dbraw/zinc/66/55/79/1128665579.db2.gz PNMYNFIWXPEIEV-UHFFFAOYSA-N 2 0 278.484 3.953 20 30 CHEDRP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258044289 1128686077 /nfs/dbraw/zinc/68/60/77/1128686077.db2.gz LCFCMXXWRAEEPS-ZACQAIPSSA-N 2 0 266.473 3.619 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258049167 1128689013 /nfs/dbraw/zinc/68/90/13/1128689013.db2.gz AQQXQNCRPNLGEF-BBWFWOEESA-N 2 0 266.473 3.761 20 30 CHEDRP CCCCCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258051219 1128698823 /nfs/dbraw/zinc/69/88/23/1128698823.db2.gz CLGBRZKRHQOTGC-YESZJQIVSA-N 2 0 266.473 3.619 20 30 CHEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000338549020 1118216260 /nfs/dbraw/zinc/21/62/60/1118216260.db2.gz LIYPXSBNLKXPPX-IBGZPJMESA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000657567537 1119187931 /nfs/dbraw/zinc/18/79/31/1119187931.db2.gz SSBONHVCLLKHIO-DLBZAZTESA-N 2 0 276.468 3.729 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000414178006 1119928917 /nfs/dbraw/zinc/92/89/17/1119928917.db2.gz JPHPGVMAMJSREY-HZPDHXFCSA-N 2 0 276.424 3.608 20 30 CHEDRP C=C(C)CC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508990196 1120579348 /nfs/dbraw/zinc/57/93/48/1120579348.db2.gz FJAJUBUQNMYFMQ-UHFFFAOYSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922846508 1120611393 /nfs/dbraw/zinc/61/13/93/1120611393.db2.gz LTUFIKLUVDSRGB-PBHCIXSXSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000651817256 1120753240 /nfs/dbraw/zinc/75/32/40/1120753240.db2.gz FMEHTHZQLNTVSU-IRXDYDNUSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466485 1120981713 /nfs/dbraw/zinc/98/17/13/1120981713.db2.gz UMFUWHSOVMESRP-WMZOPIPTSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467657 1120983688 /nfs/dbraw/zinc/98/36/88/1120983688.db2.gz HBXUVJNEHCCXMN-MSOLQXFVSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000658035389 1121123910 /nfs/dbraw/zinc/12/39/10/1121123910.db2.gz MRERTZUJKQSBMB-WBVHZDCISA-N 2 0 269.392 3.559 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000766124413 1121287463 /nfs/dbraw/zinc/28/74/63/1121287463.db2.gz XTNYNWSNQHAMQP-IAGOWNOFSA-N 2 0 266.473 3.763 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709847847 1121370981 /nfs/dbraw/zinc/37/09/81/1121370981.db2.gz DCMOAVCAUOZOBQ-KRWDZBQOSA-N 2 0 266.473 3.813 20 30 CHEDRP N#CCCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000433023491 1121521703 /nfs/dbraw/zinc/52/17/03/1121521703.db2.gz QNCCTZCSKYGKAB-IBGZPJMESA-N 2 0 299.462 3.887 20 30 CHEDRP CC1CCN(CC[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433032841 1121527553 /nfs/dbraw/zinc/52/75/53/1121527553.db2.gz SNLIZKODTLIMSY-IBGZPJMESA-N 2 0 299.462 3.743 20 30 CHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001178462334 1121788916 /nfs/dbraw/zinc/78/89/16/1121788916.db2.gz BRLQDRVNOUARIH-QGZVFWFLSA-N 2 0 299.462 3.529 20 30 CHEDRP C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775393967 1122541265 /nfs/dbraw/zinc/54/12/65/1122541265.db2.gz CKKOALRRLFCMOC-GJZGRUSLSA-N 2 0 290.451 3.762 20 30 CHEDRP C=C(CC)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191359819 1122596638 /nfs/dbraw/zinc/59/66/38/1122596638.db2.gz ZCNZIRDAAWZAOY-HXUWFJFHSA-N 2 0 298.474 3.941 20 30 CHEDRP CCCCCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001201798621 1123150238 /nfs/dbraw/zinc/15/02/38/1123150238.db2.gz YDDVYRZDQRJRIV-UHFFFAOYSA-N 2 0 266.473 3.907 20 30 CHEDRP CCCCCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001201787226 1123151402 /nfs/dbraw/zinc/15/14/02/1123151402.db2.gz ARYWNCXJRJCGCJ-UHFFFAOYSA-N 2 0 284.463 3.855 20 30 CHEDRP C=CCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168015548 1123379181 /nfs/dbraw/zinc/37/91/81/1123379181.db2.gz RKLVNJLFKVMDQD-HZPDHXFCSA-N 2 0 272.436 3.594 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000453302756 1123570431 /nfs/dbraw/zinc/57/04/31/1123570431.db2.gz AVGVFZMRAXAJIB-IAGOWNOFSA-N 2 0 272.436 3.624 20 30 CHEDRP C=CC[C@@H]1[NH+](CC[C@@H]2CCC[N@H+]2C)CCCC1(C)C ZINC000444794100 1124065872 /nfs/dbraw/zinc/06/58/72/1124065872.db2.gz UPWHZIXQQZQPMY-HOTGVXAUSA-N 2 0 264.457 3.537 20 30 CHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000866467391 1124069148 /nfs/dbraw/zinc/06/91/48/1124069148.db2.gz GSWUAHLRKBQHPJ-MRXNPFEDSA-N 2 0 299.462 3.719 20 30 CHEDRP C[N@H+](CCC[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000449062476 1124640765 /nfs/dbraw/zinc/64/07/65/1124640765.db2.gz LQVAYBVTXIONQC-UHFFFAOYSA-N 2 0 291.483 3.703 20 30 CHEDRP CCCCCCCCCC[C@@H](O)CN1CCC[NH2+]C[C@@H]1C ZINC001246025059 1131276153 /nfs/dbraw/zinc/27/61/53/1131276153.db2.gz BSEVDENCDDFMED-ZWKOTPCHSA-N 2 0 298.515 3.562 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+]CC1(C)C[NH2+]C1 ZINC001246096780 1131309178 /nfs/dbraw/zinc/30/91/78/1131309178.db2.gz WPVOLVXHGDKHOV-OAHLLOKOSA-N 2 0 254.462 3.715 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449735474 1124856467 /nfs/dbraw/zinc/85/64/67/1124856467.db2.gz QXTZIGKHCMWKCK-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246102714 1131321450 /nfs/dbraw/zinc/32/14/50/1131321450.db2.gz WTIXZXBETBFQGA-HRCADAONSA-N 2 0 254.462 3.713 20 30 CHEDRP N#CC1CCC([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000877019159 1124997785 /nfs/dbraw/zinc/99/77/85/1124997785.db2.gz HRBGLTDPVMOAJK-UHFFFAOYSA-N 2 0 291.483 3.705 20 30 CHEDRP C#CCCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877188485 1125018581 /nfs/dbraw/zinc/01/85/81/1125018581.db2.gz COLAGRJQWKRZJD-ROUUACIJSA-N 2 0 290.495 3.813 20 30 CHEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244510 1125244594 /nfs/dbraw/zinc/24/45/94/1125244594.db2.gz XBCZYDXBETYOIB-OALUTQOASA-N 2 0 284.447 3.549 20 30 CHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NC2(C)CC[NH2+]CC2)cc1 ZINC001168189706 1125367929 /nfs/dbraw/zinc/36/79/29/1125367929.db2.gz YDYOWITVNWMJDZ-SFHVURJKSA-N 2 0 299.462 3.564 20 30 CHEDRP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883227470 1125380940 /nfs/dbraw/zinc/38/09/40/1125380940.db2.gz RHJRKJMNINRNKJ-UMQXSMKFSA-N 2 0 298.474 3.779 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650756032 1129722023 /nfs/dbraw/zinc/72/20/23/1129722023.db2.gz RZURMCXIRGPLAV-HNNXBMFYSA-N 2 0 260.425 3.631 20 30 CHEDRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(C#N)c1 ZINC000902737032 1130048759 /nfs/dbraw/zinc/04/87/59/1130048759.db2.gz OIMDOKRFAQYHJG-IBGZPJMESA-N 2 0 299.462 3.719 20 30 CHEDRP CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000903082557 1130109648 /nfs/dbraw/zinc/10/96/48/1130109648.db2.gz UOCZIFQOOAXIPY-JLAWEPINSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903253604 1130137777 /nfs/dbraw/zinc/13/77/77/1130137777.db2.gz NAILXKDGMPEKMF-KLAILNCOSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024052 1130703392 /nfs/dbraw/zinc/70/33/92/1130703392.db2.gz KBLUNBNBQKGTAJ-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233896 1130726436 /nfs/dbraw/zinc/72/64/36/1130726436.db2.gz UZHAVORFRHYFSO-QGZVFWFLSA-N 2 0 266.473 3.811 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255445 1130730125 /nfs/dbraw/zinc/73/01/25/1130730125.db2.gz MWSZMFKSWNITLU-ULQDDVLXSA-N 2 0 264.457 3.715 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335529 1130734439 /nfs/dbraw/zinc/73/44/39/1130734439.db2.gz ONQNHXFPMGXYDQ-CMDGGOBGSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235701302 1130770159 /nfs/dbraw/zinc/77/01/59/1130770159.db2.gz AKHMEPNRQBQPGW-UHFFFAOYSA-N 2 0 280.415 3.724 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CC(CC[NH3+])C1 ZINC001235919467 1130804345 /nfs/dbraw/zinc/80/43/45/1130804345.db2.gz VSGHJLMWVXRAKN-UHFFFAOYSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236044071 1130836400 /nfs/dbraw/zinc/83/64/00/1130836400.db2.gz JAQMYGFMDAUBEU-CVEARBPZSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287329 1130911084 /nfs/dbraw/zinc/91/10/84/1130911084.db2.gz RKXJWDYIIUGFEV-UHFFFAOYSA-N 2 0 272.436 3.597 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237055723 1131042243 /nfs/dbraw/zinc/04/22/43/1131042243.db2.gz FHGMGQLUTCHMHL-MRXNPFEDSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000817893237 1131186774 /nfs/dbraw/zinc/18/67/74/1131186774.db2.gz DAFZCKKIMZZJKW-JQHSSLGASA-N 2 0 287.451 3.599 20 30 CHEDRP CCCCCCCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246310922 1131460956 /nfs/dbraw/zinc/46/09/56/1131460956.db2.gz OSSVHPAWADMRCR-BZSNNMDCSA-N 2 0 298.515 3.608 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CCO[C@@H]1CC[NH2+]C1 ZINC001246365819 1131488536 /nfs/dbraw/zinc/48/85/36/1131488536.db2.gz GVBHCQKBWLZHSF-QZTJIDSGSA-N 2 0 298.515 3.730 20 30 CHEDRP CCCCCCC[C@H](CCC)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455022 1131504226 /nfs/dbraw/zinc/50/42/26/1131504226.db2.gz CZDDNLUEHOPVKU-SFHVURJKSA-N 3 0 299.547 3.824 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846227464 1131702159 /nfs/dbraw/zinc/70/21/59/1131702159.db2.gz RRTQREVVJLLCNO-KSZLIROESA-N 2 0 296.499 3.708 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001246603923 1131714917 /nfs/dbraw/zinc/71/49/17/1131714917.db2.gz PGGCXSYDDZJSNB-MRXNPFEDSA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246635723 1131752604 /nfs/dbraw/zinc/75/26/04/1131752604.db2.gz LAPNJBXSCPZQPS-IRXDYDNUSA-N 2 0 266.473 3.953 20 30 CHEDRP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978019 1132119978 /nfs/dbraw/zinc/11/99/78/1132119978.db2.gz FIFFPUBEQMYZFW-IBGZPJMESA-N 2 0 298.474 3.823 20 30 CHEDRP C=CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075753 1132123856 /nfs/dbraw/zinc/12/38/56/1132123856.db2.gz SQPAGQNZDMNPAU-BWTSREIZSA-N 2 0 284.447 3.690 20 30 CHEDRP C#CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064901 1132124540 /nfs/dbraw/zinc/12/45/40/1132124540.db2.gz ILAKGWIQEHUJBU-OWZKRDHZSA-N 2 0 296.458 3.575 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172345783 1132180804 /nfs/dbraw/zinc/18/08/04/1132180804.db2.gz COANLEKBDTTXJV-CVEARBPZSA-N 2 0 254.462 3.667 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491148 1132247429 /nfs/dbraw/zinc/24/74/29/1132247429.db2.gz DNDQLQUUQCIMBR-KBAYOESNSA-N 2 0 291.483 3.831 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500373 1132250217 /nfs/dbraw/zinc/25/02/17/1132250217.db2.gz NAKJASUUJJRXGJ-HKUYNNGSSA-N 2 0 299.462 3.523 20 30 CHEDRP C#Cc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001231663842 1132342535 /nfs/dbraw/zinc/34/25/35/1132342535.db2.gz SUEGKEHDNCHQGQ-PMACEKPBSA-N 2 0 296.458 3.507 20 30 CHEDRP CCCCCCCC[C@@H](CCC)NC(=[NH2+])NCCCC[NH3+] ZINC001173310087 1132451282 /nfs/dbraw/zinc/45/12/82/1132451282.db2.gz PGDOVFYSPFCDDO-MRXNPFEDSA-N 2 0 298.519 3.759 20 30 CHEDRP CC1(C)C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173588604 1132495619 /nfs/dbraw/zinc/49/56/19/1132495619.db2.gz GOTDKLPBHMZMQX-QZOMQWOVSA-N 2 0 291.483 3.592 20 30 CHEDRP C[NH+](C)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC001173584756 1132495913 /nfs/dbraw/zinc/49/59/13/1132495913.db2.gz KHAUSOAPMFFSEQ-JLAWEPINSA-N 2 0 299.462 3.741 20 30 CHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173593468 1132498348 /nfs/dbraw/zinc/49/83/48/1132498348.db2.gz PIKTXENMSIQJBX-HFFNAHSWSA-N 2 0 291.483 3.701 20 30 CHEDRP C=C(C)[C@@H]1CC=C(CN2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001208178216 1133899093 /nfs/dbraw/zinc/89/90/93/1133899093.db2.gz NWJALUVBRZETDL-QGZVFWFLSA-N 2 0 288.479 3.848 20 30 CHEDRP C=CCCCCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001209427626 1134014501 /nfs/dbraw/zinc/01/45/01/1134014501.db2.gz WETNFKMCCHTWJT-UHFFFAOYSA-N 2 0 252.446 3.539 20 30 CHEDRP C=CCCCCCCCC[N@@H+](C)C1CCN(C)CC1 ZINC001209442972 1134023177 /nfs/dbraw/zinc/02/31/77/1134023177.db2.gz JONDPXQHQLYFTQ-UHFFFAOYSA-N 2 0 266.473 3.929 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264857 1135216190 /nfs/dbraw/zinc/21/61/90/1135216190.db2.gz IVFLZIVKAYFJJN-KRWDZBQOSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222452516 1135244864 /nfs/dbraw/zinc/24/48/64/1135244864.db2.gz GFXNOTZETFURAD-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531582 1135248901 /nfs/dbraw/zinc/24/89/01/1135248901.db2.gz DJYPTSKLDMDDGM-UHFFFAOYSA-N 2 0 270.436 3.666 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185785338 262070393 /nfs/dbraw/zinc/07/03/93/262070393.db2.gz USVNPJLEWHBFIF-VQIMIIECSA-N 2 0 299.462 3.700 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185785318 262070504 /nfs/dbraw/zinc/07/05/04/262070504.db2.gz USVNPJLEWHBFIF-LPHOPBHVSA-N 2 0 299.462 3.700 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274209156 328209624 /nfs/dbraw/zinc/20/96/24/328209624.db2.gz MZQQKVCKEOXWPG-MOPGFXCFSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000121545568 328375604 /nfs/dbraw/zinc/37/56/04/328375604.db2.gz RXNPXDVTKTVIAO-SFHVURJKSA-N 2 0 276.468 3.728 20 30 CHEDRP Cc1ncn(-c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)c1C ZINC000564662009 327248523 /nfs/dbraw/zinc/24/85/23/327248523.db2.gz UYAVNZLNGDNLJD-GOEBONIOSA-N 2 0 280.375 3.593 20 30 CHEDRP C=CCN1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275615109 330110753 /nfs/dbraw/zinc/11/07/53/330110753.db2.gz RKQXEPVXPUTXRK-HKUYNNGSSA-N 2 0 284.447 3.563 20 30 CHEDRP C=CCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCCC1 ZINC000423162008 330173722 /nfs/dbraw/zinc/17/37/22/330173722.db2.gz OPDZHRDFKBGFCU-AWEZNQCLSA-N 2 0 287.451 3.636 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423174711 330174712 /nfs/dbraw/zinc/17/47/12/330174712.db2.gz CNQNDYIFAAJZHM-NSISKUIASA-N 2 0 292.426 3.908 20 30 CHEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000120201345 330386134 /nfs/dbraw/zinc/38/61/34/330386134.db2.gz LRSPYGATKPGNLN-SFHVURJKSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000120197022 330386257 /nfs/dbraw/zinc/38/62/57/330386257.db2.gz CMBLAMXNRPRLOW-WMZOPIPTSA-N 2 0 278.484 3.975 20 30 CHEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453330973 331117652 /nfs/dbraw/zinc/11/76/52/331117652.db2.gz YZYXQTNMLUPECM-REPLKXPHSA-N 2 0 284.447 3.738 20 30 CHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)CC#N)CC2)C1 ZINC000459726306 331296037 /nfs/dbraw/zinc/29/60/37/331296037.db2.gz DXPZGFFAFVSLJB-RDJZCZTQSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000462042389 331316959 /nfs/dbraw/zinc/31/69/59/331316959.db2.gz VDVVRHPDFNZNMW-OAHLLOKOSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935755 333240469 /nfs/dbraw/zinc/24/04/69/333240469.db2.gz UYQSYXVLQIXNQG-OALUTQOASA-N 2 0 286.463 3.843 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245932334 334224743 /nfs/dbraw/zinc/22/47/43/334224743.db2.gz SOUAXIIHEQHHFR-DLBZAZTESA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCC(C)(C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000556214318 334500362 /nfs/dbraw/zinc/50/03/62/334500362.db2.gz ABZQCTPARWULMJ-UHFFFAOYSA-N 2 0 264.457 3.585 20 30 CHEDRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278882030 522578410 /nfs/dbraw/zinc/57/84/10/522578410.db2.gz YAAGOCOFYPHNPE-IBGZPJMESA-N 2 0 299.462 3.721 20 30 CHEDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833112 522852371 /nfs/dbraw/zinc/85/23/71/522852371.db2.gz UFUJGPUGRXJIHX-PKOBYXMFSA-N 2 0 299.462 3.719 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246333920 1131474115 /nfs/dbraw/zinc/47/41/15/1131474115.db2.gz RUMJCNIKDAOEBK-NCOADZHNSA-N 2 0 266.473 3.998 20 30 CHEDRP CCCC[NH+](CCCC)CCC[NH2+][C@@H](C)CCCC#N ZINC001172482104 1132229386 /nfs/dbraw/zinc/22/93/86/1132229386.db2.gz BSIRCANICQXZSD-KRWDZBQOSA-N 2 0 281.488 3.951 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC001209443375 1134022958 /nfs/dbraw/zinc/02/29/58/1134022958.db2.gz RKUWIPOICGSITH-UHFFFAOYSA-N 2 0 266.473 3.929 20 30 CHEDRP C#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245670556 1125586779 /nfs/dbraw/zinc/58/67/79/1125586779.db2.gz HGSIXLQQAVTOKS-ACDBMABISA-N 2 0 296.458 3.575 20 30 CHEDRP C=CCCCC[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001278270638 1131235488 /nfs/dbraw/zinc/23/54/88/1131235488.db2.gz SJFJXJSWMAJYNC-UHFFFAOYSA-N 2 0 276.468 3.683 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235762223 1130776550 /nfs/dbraw/zinc/77/65/50/1130776550.db2.gz XECSIOVIKWXUNO-ZHACJKMWSA-N 2 0 266.473 3.977 20 30 CHEDRP C=CCCCCCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584534 1130980950 /nfs/dbraw/zinc/98/09/50/1130980950.db2.gz JHCBPCCVVHJVOB-KRWDZBQOSA-N 2 0 278.484 3.977 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236822522 1131013929 /nfs/dbraw/zinc/01/39/29/1131013929.db2.gz ZTHZCTPZHTWXFC-BZSNNMDCSA-N 2 0 278.484 3.962 20 30 CHEDRP CCN(CC)[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602501042 1127583601 /nfs/dbraw/zinc/58/36/01/1127583601.db2.gz CPFHQCLDMFLOES-WMZOPIPTSA-N 2 0 287.451 3.599 20 30 CHEDRP CCC(CC)[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCC1 ZINC000602512486 1127589049 /nfs/dbraw/zinc/58/90/49/1127589049.db2.gz WABBSRTXUMTNPJ-VMWRSERWSA-N 2 0 291.483 3.559 20 30 CHEDRP CC[N@H+](CCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658593 1127686304 /nfs/dbraw/zinc/68/63/04/1127686304.db2.gz CSYPIJUMEMKRAX-UHFFFAOYSA-N 2 0 287.451 3.510 20 30 CHEDRP C=C(CC)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000540204663 1127968683 /nfs/dbraw/zinc/96/86/83/1127968683.db2.gz RNEFXXPAPYRJAX-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562640 1127977799 /nfs/dbraw/zinc/97/77/99/1127977799.db2.gz YGAIGXJPQZQVSA-OWCLPIDISA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000567122114 1128558491 /nfs/dbraw/zinc/55/84/91/1128558491.db2.gz LWAVEVJFHNJZMO-HOTGVXAUSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623551186 1117871919 /nfs/dbraw/zinc/87/19/19/1117871919.db2.gz OLWNDVFBLQCAIV-ROUUACIJSA-N 2 0 286.463 3.636 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562639 1117873139 /nfs/dbraw/zinc/87/31/39/1117873139.db2.gz YGAIGXJPQZQVSA-OAGGEKHMSA-N 2 0 264.457 3.584 20 30 CHEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H](C1)C2 ZINC000715562445 1120129963 /nfs/dbraw/zinc/12/99/63/1120129963.db2.gz PNEAWSHLGAQAMR-YUGHNKOSSA-N 2 0 276.468 3.584 20 30 CHEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H](C1)C2 ZINC000715562441 1120130432 /nfs/dbraw/zinc/13/04/32/1120130432.db2.gz PNEAWSHLGAQAMR-JILJLDPQSA-N 2 0 276.468 3.584 20 30 CHEDRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763698 1128903012 /nfs/dbraw/zinc/90/30/12/1128903012.db2.gz ARQXOPVLXQKVPP-RHSMWYFYSA-N 2 0 287.451 3.575 20 30 CHEDRP C=CC(C)(C)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925722489 1120720343 /nfs/dbraw/zinc/72/03/43/1120720343.db2.gz WHCRCXGMOCZWRI-MRXNPFEDSA-N 2 0 260.425 3.659 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466483 1120981649 /nfs/dbraw/zinc/98/16/49/1120981649.db2.gz UMFUWHSOVMESRP-FUHWJXTLSA-N 2 0 278.484 3.833 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CCC#N)C1CCCC1 ZINC001167824368 1120996999 /nfs/dbraw/zinc/99/69/99/1120996999.db2.gz GTPBSIIVPJLBIU-MRXNPFEDSA-N 2 0 279.472 3.655 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843344122 1121324519 /nfs/dbraw/zinc/32/45/19/1121324519.db2.gz RLQYYYLUKACCAG-HNNXBMFYSA-N 2 0 260.425 3.760 20 30 CHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001178462333 1121788798 /nfs/dbraw/zinc/78/87/98/1121788798.db2.gz BRLQDRVNOUARIH-KRWDZBQOSA-N 2 0 299.462 3.529 20 30 CHEDRP C=CCN1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284131979 1121924124 /nfs/dbraw/zinc/92/41/24/1121924124.db2.gz CYBHSZRZWPPYMM-HXUWFJFHSA-N 2 0 298.474 3.556 20 30 CHEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436289195 1122533109 /nfs/dbraw/zinc/53/31/09/1122533109.db2.gz MEACUJSBFKVAND-RDJZCZTQSA-N 2 0 264.457 3.728 20 30 CHEDRP CCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368966 1122956332 /nfs/dbraw/zinc/95/63/32/1122956332.db2.gz PYTDEYDIWQBDMN-MRXNPFEDSA-N 2 0 275.440 3.563 20 30 CHEDRP CCCCCCCC[N@H+](CC)C1CCN(C)CC1 ZINC001201825987 1123153358 /nfs/dbraw/zinc/15/33/58/1123153358.db2.gz KIYJRHCJNSVGFB-UHFFFAOYSA-N 2 0 254.462 3.763 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665230610 1123234213 /nfs/dbraw/zinc/23/42/13/1123234213.db2.gz RYVNDDXLJIKIKT-RKVPGOIHSA-N 2 0 287.451 3.634 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665230607 1123234503 /nfs/dbraw/zinc/23/45/03/1123234503.db2.gz RYVNDDXLJIKIKT-DAYGRLMNSA-N 2 0 287.451 3.634 20 30 CHEDRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000895554213 1123491136 /nfs/dbraw/zinc/49/11/36/1123491136.db2.gz SVLFTFIPLUBUQO-KRWDZBQOSA-N 2 0 291.483 3.657 20 30 CHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000106246359 1124018033 /nfs/dbraw/zinc/01/80/33/1124018033.db2.gz MKIUZTJFKKPLPY-UHFFFAOYSA-N 2 0 294.442 3.970 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000448022629 1124555348 /nfs/dbraw/zinc/55/53/48/1124555348.db2.gz OYMIVPVHVBLTKQ-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449084831 1124644502 /nfs/dbraw/zinc/64/45/02/1124644502.db2.gz ZBNQVSHZAIRYBM-WWDZGPRUSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449484145 1124764911 /nfs/dbraw/zinc/76/49/11/1124764911.db2.gz FOELHYUQGKKZAK-NVXWUHKLSA-N 2 0 278.484 3.831 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098564 1131313839 /nfs/dbraw/zinc/31/38/39/1131313839.db2.gz JVPKDGBTQHQURT-JYJNAYRXSA-N 2 0 254.462 3.571 20 30 CHEDRP C=CC[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878338064 1125142058 /nfs/dbraw/zinc/14/20/58/1125142058.db2.gz VGPLVOZUUFHVKR-MRXNPFEDSA-N 2 0 287.451 3.585 20 30 CHEDRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000248897483 1125373571 /nfs/dbraw/zinc/37/35/71/1125373571.db2.gz UATVPZJNTFBYPL-NXHRZFHOSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343809 1129571909 /nfs/dbraw/zinc/57/19/09/1129571909.db2.gz CNELVDGTJULOPW-JFRXWTBNSA-N 2 0 286.463 3.522 20 30 CHEDRP CCCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098441 1129696718 /nfs/dbraw/zinc/69/67/18/1129696718.db2.gz IDVCJJGPJBHHDG-BJWYYQGGSA-N 2 0 266.473 3.952 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119835 1129700647 /nfs/dbraw/zinc/70/06/47/1129700647.db2.gz XKJQXPUWFSRQKZ-VQHPVUNQSA-N 2 0 266.473 3.950 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651790347 1129748711 /nfs/dbraw/zinc/74/87/11/1129748711.db2.gz TVGUNLZLGXBJQV-RLLQIKCJSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902364227 1130003702 /nfs/dbraw/zinc/00/37/02/1130003702.db2.gz QEPMBNHRBGMOCG-MLGOLLRUSA-N 2 0 282.378 3.689 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038295 1130705781 /nfs/dbraw/zinc/70/57/81/1130705781.db2.gz FMKNKWRKYWLFQM-MRXNPFEDSA-N 2 0 252.446 3.565 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235105246 1130712127 /nfs/dbraw/zinc/71/21/27/1130712127.db2.gz AXNICVBVIUTYOM-UHFFFAOYSA-N 2 0 264.457 3.731 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350217 1130736400 /nfs/dbraw/zinc/73/64/00/1130736400.db2.gz WTYLJHIRYMDAST-WOJBJXKFSA-N 2 0 298.474 3.812 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397882 1130738394 /nfs/dbraw/zinc/73/83/94/1130738394.db2.gz RHAVWSMCQWOVMJ-IAGOWNOFSA-N 2 0 296.474 3.912 20 30 CHEDRP CCCCCCCCC[N@@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235393458 1130739397 /nfs/dbraw/zinc/73/93/97/1130739397.db2.gz AHEKSLZCTYKROB-HOTGVXAUSA-N 2 0 284.463 3.746 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235702030 1130770040 /nfs/dbraw/zinc/77/00/40/1130770040.db2.gz GZNFECHLAGJVDO-UHFFFAOYSA-N 2 0 292.426 3.868 20 30 CHEDRP C=CCCCCCCCCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235843181 1130787448 /nfs/dbraw/zinc/78/74/48/1130787448.db2.gz XEJWFVORXQQZRN-QGZVFWFLSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC001235962633 1130819471 /nfs/dbraw/zinc/81/94/71/1130819471.db2.gz OGIWLKOHCIICAU-UHFFFAOYSA-N 2 0 298.455 3.582 20 30 CHEDRP C=CCCCCCCC[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008782 1130831456 /nfs/dbraw/zinc/83/14/56/1130831456.db2.gz MIEVBJWVJYXLRW-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC[NH2+]CCC1 ZINC001236239617 1130901495 /nfs/dbraw/zinc/90/14/95/1130901495.db2.gz IZRXBJSFTFRAFO-CMDGGOBGSA-N 2 0 252.446 3.589 20 30 CHEDRP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314675 1130912651 /nfs/dbraw/zinc/91/26/51/1130912651.db2.gz RVYQYFQYBOJKNF-IIDPFDRSSA-N 2 0 278.484 3.835 20 30 CHEDRP Cc1cc(C#N)ccc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550204 1130973292 /nfs/dbraw/zinc/97/32/92/1130973292.db2.gz AITRGXZJKZFMNR-WGSAOQKQSA-N 2 0 299.462 3.595 20 30 CHEDRP CCCCCCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550072 1130973612 /nfs/dbraw/zinc/97/36/12/1130973612.db2.gz CSCAGCCSLIOGHP-QAQDUYKDSA-N 2 0 266.473 3.939 20 30 CHEDRP C=CCCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566271 1130976862 /nfs/dbraw/zinc/97/68/62/1130976862.db2.gz VNJMVGAVKMNLLB-JCNLHEQBSA-N 2 0 264.457 3.857 20 30 CHEDRP C#Cc1ccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236778935 1131003917 /nfs/dbraw/zinc/00/39/17/1131003917.db2.gz CGZGDEZYXLAOBC-WGSAOQKQSA-N 2 0 298.474 3.786 20 30 CHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000817977757 1131193674 /nfs/dbraw/zinc/19/36/74/1131193674.db2.gz OERUFNURZWDVJD-UONOGXRCSA-N 2 0 296.842 3.596 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000817969570 1131193995 /nfs/dbraw/zinc/19/39/95/1131193995.db2.gz XKIVTZYNXLRENC-HNNXBMFYSA-N 2 0 272.436 3.904 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985326 1131194738 /nfs/dbraw/zinc/19/47/38/1131194738.db2.gz IYTISYMRUIAFJR-HZPDHXFCSA-N 2 0 264.457 3.776 20 30 CHEDRP CCCCCCC[NH2+]C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246234273 1131419677 /nfs/dbraw/zinc/41/96/77/1131419677.db2.gz VDTAOOBNXWCRFY-GJZGRUSLSA-N 2 0 254.462 3.856 20 30 CHEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001246280631 1131440803 /nfs/dbraw/zinc/44/08/03/1131440803.db2.gz RBKOYMUVBXLUAA-HRCADAONSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CCO[C@H]1CC[NH2+]C1 ZINC001246365816 1131488392 /nfs/dbraw/zinc/48/83/92/1131488392.db2.gz GVBHCQKBWLZHSF-MSOLQXFVSA-N 2 0 298.515 3.730 20 30 CHEDRP C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001144573911 1131661162 /nfs/dbraw/zinc/66/11/62/1131661162.db2.gz TUDHWLDXDLCOQX-HXUWFJFHSA-N 2 0 296.458 3.508 20 30 CHEDRP CCCCCCC[C@H](CCC)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246612222 1131717738 /nfs/dbraw/zinc/71/77/38/1131717738.db2.gz HUUUAUUJYCLALF-INIZCTEOSA-N 2 0 266.473 3.811 20 30 CHEDRP C[C@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172504726 1132254521 /nfs/dbraw/zinc/25/45/21/1132254521.db2.gz IDTXRDYIAPNVMN-QGZVFWFLSA-N 2 0 299.462 3.665 20 30 CHEDRP CCCC[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591836 1132496962 /nfs/dbraw/zinc/49/69/62/1132496962.db2.gz TWXHZLVEFQHFMA-UHFFFAOYSA-N 2 0 291.483 3.561 20 30 CHEDRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590257 1132497275 /nfs/dbraw/zinc/49/72/75/1132497275.db2.gz BEFYFPNCUYUOAE-IPJUCJBFSA-N 2 0 299.462 3.556 20 30 CHEDRP CCCCCCCCCCC[N@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918530 1133499060 /nfs/dbraw/zinc/49/90/60/1133499060.db2.gz GOOJLVZOAWBESB-OSYLJGHBSA-N 2 0 266.473 3.654 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296396 1133685429 /nfs/dbraw/zinc/68/54/29/1133685429.db2.gz SFMRSDBHUOJOMS-QGZVFWFLSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206744612 1133740301 /nfs/dbraw/zinc/74/03/01/1133740301.db2.gz KLBSZXFNJYCDAX-UHFFFAOYSA-N 2 0 288.479 3.949 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207356 1133987172 /nfs/dbraw/zinc/98/71/72/1133987172.db2.gz VLKHSYFHDWKMPL-UXHICEINSA-N 2 0 298.474 3.797 20 30 CHEDRP CCCCCCC/C=C/C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624076 1135256065 /nfs/dbraw/zinc/25/60/65/1135256065.db2.gz UHGCHTIMAYWQBP-IIDPFDRSSA-N 2 0 278.484 3.835 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411501150 262696154 /nfs/dbraw/zinc/69/61/54/262696154.db2.gz HLCGFSWWPSXSRI-MRXNPFEDSA-N 2 0 279.472 3.513 20 30 CHEDRP CC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000571610343 328137295 /nfs/dbraw/zinc/13/72/95/328137295.db2.gz AXZFKBFAXYKSHE-QFBILLFUSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000561156584 327369928 /nfs/dbraw/zinc/36/99/28/327369928.db2.gz BGEMTCRUFJQTPN-HNNXBMFYSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275615120 330110743 /nfs/dbraw/zinc/11/07/43/330110743.db2.gz RKQXEPVXPUTXRK-PKOBYXMFSA-N 2 0 284.447 3.563 20 30 CHEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423129786 330171564 /nfs/dbraw/zinc/17/15/64/330171564.db2.gz MGEGVZXLGWYZDN-RDJZCZTQSA-N 2 0 273.424 3.529 20 30 CHEDRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293897 330188097 /nfs/dbraw/zinc/18/80/97/330188097.db2.gz SKPSORVAUJUXRL-KUHUBIRLSA-N 2 0 293.414 3.819 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423376964 330198687 /nfs/dbraw/zinc/19/86/87/330198687.db2.gz JPDBSOIWUUEEFJ-AWEZNQCLSA-N 2 0 258.409 3.514 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453309061 331114410 /nfs/dbraw/zinc/11/44/10/331114410.db2.gz OUROPTWKAYPACV-REPLKXPHSA-N 2 0 298.474 3.984 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459664235 331292995 /nfs/dbraw/zinc/29/29/95/331292995.db2.gz ZZRGFBCCGVJVBB-AWEZNQCLSA-N 2 0 257.381 3.559 20 30 CHEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000488473264 332012449 /nfs/dbraw/zinc/01/24/49/332012449.db2.gz XXSBCRTVCBDUFD-INIZCTEOSA-N 2 0 299.462 3.673 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000573235145 334920067 /nfs/dbraw/zinc/92/00/67/334920067.db2.gz MAYBCYNEWZTZDA-ZACQAIPSSA-N 2 0 258.409 3.553 20 30 CHEDRP C=C[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@@H]1C=C ZINC000581107548 336009056 /nfs/dbraw/zinc/00/90/56/336009056.db2.gz JSUBJMFIRWCPJT-ROUUACIJSA-N 2 0 276.468 3.848 20 30 CHEDRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1 ZINC000037232538 525288883 /nfs/dbraw/zinc/28/88/83/525288883.db2.gz DEDJAVWFZUBESQ-ZDUSSCGKSA-N 2 0 285.435 3.518 20 30 CHEDRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1 ZINC000037232539 525395514 /nfs/dbraw/zinc/39/55/14/525395514.db2.gz DEDJAVWFZUBESQ-CYBMUJFWSA-N 2 0 285.435 3.518 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000471598750 1118483310 /nfs/dbraw/zinc/48/33/10/1118483310.db2.gz YFVUKEDVKWOUHE-AEFFLSMTSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255806 1122206723 /nfs/dbraw/zinc/20/67/23/1122206723.db2.gz LAPFYYQLBYDOMJ-MRXNPFEDSA-N 2 0 252.446 3.716 20 30 CHEDRP C=CCC[C@H](C)[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246613167 1131718582 /nfs/dbraw/zinc/71/85/82/1131718582.db2.gz XDROTMYIEFRWAU-DLBZAZTESA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCCCC[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001209440100 1134020847 /nfs/dbraw/zinc/02/08/47/1134020847.db2.gz AWHZCNFBKRXJJK-UHFFFAOYSA-N 2 0 266.473 3.928 20 30 CHEDRP C=CCC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000285917931 1127246937 /nfs/dbraw/zinc/24/69/37/1127246937.db2.gz CGSYMGIEPFAMKS-HNNXBMFYSA-N 2 0 276.424 3.608 20 30 CHEDRP C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000590257308 1127252926 /nfs/dbraw/zinc/25/29/26/1127252926.db2.gz DCDRYSPYTDLRRN-VQIMIIECSA-N 2 0 299.462 3.741 20 30 CHEDRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360831515 1127513671 /nfs/dbraw/zinc/51/36/71/1127513671.db2.gz FLAYOCDLTRVRNI-LJQANCHMSA-N 2 0 299.462 3.646 20 30 CHEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602451007 1127577923 /nfs/dbraw/zinc/57/79/23/1127577923.db2.gz NKWHXDAKRXAFPE-FGTMMUONSA-N 2 0 291.483 3.513 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602523056 1127587789 /nfs/dbraw/zinc/58/77/89/1127587789.db2.gz YPTSOSDRVZKPJC-MRXNPFEDSA-N 2 0 287.451 3.558 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535486 1127592465 /nfs/dbraw/zinc/59/24/65/1127592465.db2.gz OEGSYUHNTNFBHB-SJLPKXTDSA-N 2 0 291.483 3.561 20 30 CHEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112351 1127630282 /nfs/dbraw/zinc/63/02/82/1127630282.db2.gz XDTRHIDCCSFEPZ-QGZVFWFLSA-N 2 0 299.462 3.817 20 30 CHEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112350 1127630544 /nfs/dbraw/zinc/63/05/44/1127630544.db2.gz XDTRHIDCCSFEPZ-KRWDZBQOSA-N 2 0 299.462 3.817 20 30 CHEDRP CCCC[NH+](CCCC)CCC[NH2+]C1CCC(C#N)CC1 ZINC001256956070 1128022827 /nfs/dbraw/zinc/02/28/27/1128022827.db2.gz IUOIDMFIGYIPCG-UHFFFAOYSA-N 2 0 293.499 3.951 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403300832 1128062032 /nfs/dbraw/zinc/06/20/32/1128062032.db2.gz ZENGQTYTHSHESN-AWEZNQCLSA-N 2 0 276.415 3.653 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779750 1128287705 /nfs/dbraw/zinc/28/77/05/1128287705.db2.gz IJTQFSTXHDRZSE-DLBZAZTESA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929406 1128395349 /nfs/dbraw/zinc/39/53/49/1128395349.db2.gz NZRZSVOXZAWTKU-MSOLQXFVSA-N 2 0 278.484 3.835 20 30 CHEDRP CCCCCCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258049169 1128688461 /nfs/dbraw/zinc/68/84/61/1128688461.db2.gz AQQXQNCRPNLGEF-ULQDDVLXSA-N 2 0 266.473 3.761 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000471598751 1118483421 /nfs/dbraw/zinc/48/34/21/1118483421.db2.gz YFVUKEDVKWOUHE-FUHWJXTLSA-N 2 0 278.484 3.975 20 30 CHEDRP C=C(CC)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001167658042 1119311207 /nfs/dbraw/zinc/31/12/07/1119311207.db2.gz BKARLRVDFRVESH-KRWDZBQOSA-N 2 0 278.484 3.929 20 30 CHEDRP CCCCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000157905268 1119420914 /nfs/dbraw/zinc/42/09/14/1119420914.db2.gz XTRDCXDVMHBQHU-UHFFFAOYSA-N 2 0 252.446 3.517 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000657908926 1119627093 /nfs/dbraw/zinc/62/70/93/1119627093.db2.gz NBHWTYUOCDWFIT-WBVHZDCISA-N 2 0 278.484 3.974 20 30 CHEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H](C1)C2 ZINC000715562442 1120130390 /nfs/dbraw/zinc/13/03/90/1120130390.db2.gz PNEAWSHLGAQAMR-VTEPJNGRSA-N 2 0 276.468 3.584 20 30 CHEDRP C=CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000117883843 1120519664 /nfs/dbraw/zinc/51/96/64/1120519664.db2.gz KRGQKUJXKGYDAP-DLBZAZTESA-N 2 0 264.457 3.539 20 30 CHEDRP C=C(C)CC[N@@H+](C)[C@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000508975768 1120567005 /nfs/dbraw/zinc/56/70/05/1120567005.db2.gz HAQSIKDHUDBDAU-KRWDZBQOSA-N 2 0 264.457 3.705 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000651750200 1120733636 /nfs/dbraw/zinc/73/36/36/1120733636.db2.gz ZZXGMUPRVNUUKI-ZIAGYGMSSA-N 2 0 264.457 3.630 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467662 1120984090 /nfs/dbraw/zinc/98/40/90/1120984090.db2.gz HBXUVJNEHCCXMN-ZWKOTPCHSA-N 2 0 278.484 3.833 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759975089 1121179492 /nfs/dbraw/zinc/17/94/92/1121179492.db2.gz FZEHSQCCBZFIBH-MRXNPFEDSA-N 2 0 254.462 3.763 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379896 1129034268 /nfs/dbraw/zinc/03/42/68/1129034268.db2.gz DLNHWEDGTNIQAG-IRXDYDNUSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205605281 1122656647 /nfs/dbraw/zinc/65/66/47/1122656647.db2.gz ZSHXCBBIDVFHEA-DLBZAZTESA-N 2 0 266.473 3.820 20 30 CHEDRP C#CCCCCCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC001196728311 1122931158 /nfs/dbraw/zinc/93/11/58/1122931158.db2.gz WDJXJKVHTONNJK-UHFFFAOYSA-N 2 0 290.495 3.911 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001199037645 1123018248 /nfs/dbraw/zinc/01/82/48/1123018248.db2.gz BOMZCCXHOOSWKF-MJGOQNOKSA-N 2 0 286.463 3.843 20 30 CHEDRP C=C(CC)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000520590114 1123181344 /nfs/dbraw/zinc/18/13/44/1123181344.db2.gz SBVKQMFBVKPMEI-MRXNPFEDSA-N 2 0 292.492 3.776 20 30 CHEDRP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168020109 1123413626 /nfs/dbraw/zinc/41/36/26/1123413626.db2.gz KMFGYOQOKDGJCY-IZZQQSIFSA-N 2 0 286.463 3.984 20 30 CHEDRP C#CCCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035330 1123533383 /nfs/dbraw/zinc/53/33/83/1123533383.db2.gz SFRHDJDMXMTQQW-ROUUACIJSA-N 2 0 298.474 3.821 20 30 CHEDRP C=CCCCCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346197143 1123671830 /nfs/dbraw/zinc/67/18/30/1123671830.db2.gz DQUPVDLILJDFEK-UHFFFAOYSA-N 2 0 298.434 3.754 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000865765389 1124012325 /nfs/dbraw/zinc/01/23/25/1124012325.db2.gz SRJPDDZVDPBTKK-GYXIZQIFSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CC[C@H]1[NH+](CC[C@H]2CCC[N@H+]2C)CCCC1(C)C ZINC000444794101 1124065817 /nfs/dbraw/zinc/06/58/17/1124065817.db2.gz UPWHZIXQQZQPMY-HZPDHXFCSA-N 2 0 264.457 3.537 20 30 CHEDRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447521514 1124479877 /nfs/dbraw/zinc/47/98/77/1124479877.db2.gz WLIFQZDVHPOYHW-LJQANCHMSA-N 2 0 299.462 3.721 20 30 CHEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000872140442 1124695627 /nfs/dbraw/zinc/69/56/27/1124695627.db2.gz NDSDRIDKLIPJQM-QAQDUYKDSA-N 2 0 288.479 3.565 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246106615 1131323845 /nfs/dbraw/zinc/32/38/45/1131323845.db2.gz DZLBMEILCBSIRA-SJORKVTESA-N 2 0 268.489 3.961 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001246115607 1131338391 /nfs/dbraw/zinc/33/83/91/1131338391.db2.gz ZBGGRRDQSAOBAE-ARFHVFGLSA-N 2 0 254.462 3.713 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001246115615 1131338745 /nfs/dbraw/zinc/33/87/45/1131338745.db2.gz ZBGGRRDQSAOBAE-JYJNAYRXSA-N 2 0 254.462 3.713 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344368 1129571768 /nfs/dbraw/zinc/57/17/68/1129571768.db2.gz PEXGILXVWQFKQZ-QRVBRYPASA-N 2 0 286.463 3.666 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001246187318 1131385084 /nfs/dbraw/zinc/38/50/84/1131385084.db2.gz GLKREBTYRUHDIC-BZUAXINKSA-N 2 0 254.462 3.841 20 30 CHEDRP CCCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098442 1129696166 /nfs/dbraw/zinc/69/61/66/1129696166.db2.gz IDVCJJGPJBHHDG-OSYLJGHBSA-N 2 0 266.473 3.952 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC001246212668 1131401773 /nfs/dbraw/zinc/40/17/73/1131401773.db2.gz WGQKVDASCHGEMQ-BZUAXINKSA-N 2 0 254.462 3.843 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246222995 1131411291 /nfs/dbraw/zinc/41/12/91/1131411291.db2.gz UFJKBHLCHQDHLK-LTIDMASMSA-N 2 0 266.473 3.713 20 30 CHEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000902388796 1130005461 /nfs/dbraw/zinc/00/54/61/1130005461.db2.gz QKPKJMLPAZRBFG-QZTJIDSGSA-N 2 0 299.462 3.789 20 30 CHEDRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1 ZINC000902777209 1130055562 /nfs/dbraw/zinc/05/55/62/1130055562.db2.gz UBDLBZCBTAHWDK-LJQANCHMSA-N 2 0 297.446 3.616 20 30 CHEDRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902820080 1130062182 /nfs/dbraw/zinc/06/21/82/1130062182.db2.gz NYRZVWJIXYQGGX-LJQANCHMSA-N 2 0 299.462 3.721 20 30 CHEDRP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903131615 1130117288 /nfs/dbraw/zinc/11/72/88/1130117288.db2.gz JFVLNVYHKMYZFN-ZXFUBFMLSA-N 2 0 264.457 3.704 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195980 1130127882 /nfs/dbraw/zinc/12/78/82/1130127882.db2.gz DSJXDOBWUKHKGF-PQCNYSFFSA-N 2 0 288.479 3.869 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000792232302 1130438762 /nfs/dbraw/zinc/43/87/62/1130438762.db2.gz OQMMAEWTTLVCBS-MRXNPFEDSA-N 2 0 254.462 3.621 20 30 CHEDRP C=C(CC)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678622998 1130443602 /nfs/dbraw/zinc/44/36/02/1130443602.db2.gz HZFLAXCDIMNDNV-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678769133 1130452588 /nfs/dbraw/zinc/45/25/88/1130452588.db2.gz LOYWLDJMIXBSDZ-OXQOHEQNSA-N 2 0 298.474 3.940 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000793552929 1130569644 /nfs/dbraw/zinc/56/96/44/1130569644.db2.gz LYKXPKOCRSPFPO-INIZCTEOSA-N 2 0 266.473 3.833 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235103828 1130711952 /nfs/dbraw/zinc/71/19/52/1130711952.db2.gz XRQYIRRFDZAYBG-UHFFFAOYSA-N 2 0 264.457 3.731 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235106375 1130712096 /nfs/dbraw/zinc/71/20/96/1130712096.db2.gz LZZDWBNLZNPXEQ-UHFFFAOYSA-N 2 0 252.446 3.565 20 30 CHEDRP C=CCC[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235702507 1130771841 /nfs/dbraw/zinc/77/18/41/1130771841.db2.gz KZBKJGFOBNEPFS-SFHVURJKSA-N 2 0 272.436 3.597 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC001235714428 1130772417 /nfs/dbraw/zinc/77/24/17/1130772417.db2.gz LFHDBIQRVPPJRB-GOSISDBHSA-N 2 0 276.468 3.611 20 30 CHEDRP CCCCCCCCC[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009061 1130831592 /nfs/dbraw/zinc/83/15/92/1130831592.db2.gz PSCCSUFLOJAWCV-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236220929 1130895903 /nfs/dbraw/zinc/89/59/03/1130895903.db2.gz AELNXGVWXLCSSX-ZHACJKMWSA-N 2 0 266.473 3.977 20 30 CHEDRP C=CCCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400482 1130927739 /nfs/dbraw/zinc/92/77/39/1130927739.db2.gz DBSYIYUHBGDROF-UHFFFAOYSA-N 2 0 290.426 3.736 20 30 CHEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246228986 1131415347 /nfs/dbraw/zinc/41/53/47/1131415347.db2.gz HTQCFWMXIBGNFC-CABCVRRESA-N 2 0 254.462 3.713 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC001246231610 1131418811 /nfs/dbraw/zinc/41/88/11/1131418811.db2.gz NMHLSQLKBQPTHH-CVEARBPZSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246560212 1131622597 /nfs/dbraw/zinc/62/25/97/1131622597.db2.gz BQFMPHLGKQSIDP-JYJNAYRXSA-N 2 0 254.462 3.795 20 30 CHEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716717268 1132030856 /nfs/dbraw/zinc/03/08/56/1132030856.db2.gz JABNWEGGEQTAHZ-OTWHNJEPSA-N 2 0 284.447 3.595 20 30 CHEDRP C=CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988847 1132115619 /nfs/dbraw/zinc/11/56/19/1132115619.db2.gz WIEDZHORJPRRMU-QGZVFWFLSA-N 2 0 272.436 3.547 20 30 CHEDRP CCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105528 1132129981 /nfs/dbraw/zinc/12/99/81/1132129981.db2.gz IVEHHIZGFUKMIL-PHZGNYQRSA-N 2 0 252.446 3.562 20 30 CHEDRP C=C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172110903 1132132637 /nfs/dbraw/zinc/13/26/37/1132132637.db2.gz RBDOPRSCWBFFNY-XMTFNYHQSA-N 2 0 270.420 3.519 20 30 CHEDRP CCCCCCC[C@H](CC)[NH+]1CCC(C)([NH3+])CC1 ZINC001172352054 1132182773 /nfs/dbraw/zinc/18/27/73/1132182773.db2.gz YFZRFJGURCADIG-HNNXBMFYSA-N 2 0 254.462 3.939 20 30 CHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H](C)CCCC#N)CC1 ZINC001172489685 1132247124 /nfs/dbraw/zinc/24/71/24/1132247124.db2.gz YKHLSXBQVSAQKR-HNNXBMFYSA-N 2 0 279.472 3.559 20 30 CHEDRP C=CCCCCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206579898 1133721264 /nfs/dbraw/zinc/72/12/64/1133721264.db2.gz ARFOFUWSRMGXDC-MRXNPFEDSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208600785 1133919869 /nfs/dbraw/zinc/91/98/69/1133919869.db2.gz WKFJGKFJKIRFQX-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP C=CCCC[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001209163963 1133982575 /nfs/dbraw/zinc/98/25/75/1133982575.db2.gz PDAJLLLAXHDQPN-UHFFFAOYSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCC[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209202255 1133988632 /nfs/dbraw/zinc/98/86/32/1133988632.db2.gz DUDAWSGZWWULPP-UHFFFAOYSA-N 2 0 286.463 3.939 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309763 1135223171 /nfs/dbraw/zinc/22/31/71/1135223171.db2.gz RFJQSICJHTZYAL-KRWDZBQOSA-N 2 0 266.473 3.955 20 30 CHEDRP C[C@@H](CCC#N)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276319289 263035921 /nfs/dbraw/zinc/03/59/21/263035921.db2.gz OKEYPWGJCATRIB-KRWDZBQOSA-N 2 0 299.462 3.523 20 30 CHEDRP CCC[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340448374 263154580 /nfs/dbraw/zinc/15/45/80/263154580.db2.gz RWFULVXUNSTOBF-LJQANCHMSA-N 2 0 299.462 3.886 20 30 CHEDRP N#CCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450572 263155124 /nfs/dbraw/zinc/15/51/24/263155124.db2.gz NNOGPOFNBACNFW-OTWHNJEPSA-N 2 0 297.446 3.638 20 30 CHEDRP C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379658999 330146391 /nfs/dbraw/zinc/14/63/91/330146391.db2.gz XZWZLMWQMCTDJI-AEFFLSMTSA-N 2 0 272.436 3.595 20 30 CHEDRP C=C(C)[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049960 330167002 /nfs/dbraw/zinc/16/70/02/330167002.db2.gz KNAKQIDSUZTQOP-WBMJQRKESA-N 2 0 282.378 3.689 20 30 CHEDRP CC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)cc1 ZINC000423199888 330176487 /nfs/dbraw/zinc/17/64/87/330176487.db2.gz LEWCKMRXXRQEHR-KRWDZBQOSA-N 2 0 285.435 3.651 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292922 330187728 /nfs/dbraw/zinc/18/77/28/330187728.db2.gz OYYLXIFMNLDXOX-GJZGRUSLSA-N 2 0 260.425 3.931 20 30 CHEDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499411 330208114 /nfs/dbraw/zinc/20/81/14/330208114.db2.gz AWTPFUXXTIUFLF-BEFAXECRSA-N 2 0 293.414 3.689 20 30 CHEDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503074 330208600 /nfs/dbraw/zinc/20/86/00/330208600.db2.gz MLAOJKNFEQHHMG-DNVCBOLYSA-N 2 0 293.414 3.689 20 30 CHEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000120198086 330386264 /nfs/dbraw/zinc/38/62/64/330386264.db2.gz GKRWDJQSJKLZBP-WMZOPIPTSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446889426 330857152 /nfs/dbraw/zinc/85/71/52/330857152.db2.gz WXBGOFWQCHHMPM-MRXNPFEDSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449487353 330930212 /nfs/dbraw/zinc/93/02/12/330930212.db2.gz YHKFGXYEKLOQDP-NVXWUHKLSA-N 2 0 278.484 3.831 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659153 331292663 /nfs/dbraw/zinc/29/26/63/331292663.db2.gz LXXIOJDLJJQPEJ-HNNXBMFYSA-N 2 0 257.381 3.559 20 30 CHEDRP C=CCCCCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000486797803 331945615 /nfs/dbraw/zinc/94/56/15/331945615.db2.gz DISCTOYTBSOIHB-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000566388871 334645707 /nfs/dbraw/zinc/64/57/07/334645707.db2.gz UFJPYFFVKOUXTE-QQFBHYJXSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc(CC)cc2)CC1 ZINC000177905497 333065565 /nfs/dbraw/zinc/06/55/65/333065565.db2.gz NXQJRKIDWJOMLS-HNNXBMFYSA-N 2 0 272.436 3.550 20 30 CHEDRP C=CCCC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000542011888 333806437 /nfs/dbraw/zinc/80/64/37/333806437.db2.gz DLSUGDTUDIQUKW-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248735311 334315363 /nfs/dbraw/zinc/31/53/63/334315363.db2.gz NMZDLACYLKVDEN-FUHWJXTLSA-N 2 0 276.468 3.682 20 30 CHEDRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000278629092 522813248 /nfs/dbraw/zinc/81/32/48/522813248.db2.gz GSKPLBJBIUXAQE-LJQANCHMSA-N 2 0 297.446 3.616 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543842 1131590741 /nfs/dbraw/zinc/59/07/41/1131590741.db2.gz OECCEYAVAUQUHB-ZWKOTPCHSA-N 2 0 298.515 3.691 20 30 CHEDRP C=CC[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)s1 ZINC000846217562 1131701017 /nfs/dbraw/zinc/70/10/17/1131701017.db2.gz KQBPAXXFTDFMNJ-UHFFFAOYSA-N 2 0 286.872 3.909 20 30 CHEDRP C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000248756175 1125674498 /nfs/dbraw/zinc/67/44/98/1125674498.db2.gz GDZNIBWUCBHKQW-QRQLOZEOSA-N 2 0 299.462 3.569 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000793526203 1130563771 /nfs/dbraw/zinc/56/37/71/1130563771.db2.gz KXLSAOPFKPBECS-IAGOWNOFSA-N 2 0 266.473 3.833 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181511493 1126856607 /nfs/dbraw/zinc/85/66/07/1126856607.db2.gz SOUAXIIHEQHHFR-SJORKVTESA-N 2 0 299.462 3.721 20 30 CHEDRP CC[N@H+](CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000593660996 1127393715 /nfs/dbraw/zinc/39/37/15/1127393715.db2.gz VEXRWUFWBQVOCR-IAGOWNOFSA-N 2 0 291.483 3.703 20 30 CHEDRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000293666315 1127512071 /nfs/dbraw/zinc/51/20/71/1127512071.db2.gz JCEVIJFXPYSMQS-IBGZPJMESA-N 2 0 299.462 3.865 20 30 CHEDRP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602459962 1127581665 /nfs/dbraw/zinc/58/16/65/1127581665.db2.gz PHVDYVLBWKTULX-ZWKOTPCHSA-N 2 0 291.483 3.514 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000924858261 1128115172 /nfs/dbraw/zinc/11/51/72/1128115172.db2.gz ZLPADPNSIDROSM-HNNXBMFYSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CCC(C)(C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925678705 1128136990 /nfs/dbraw/zinc/13/69/90/1128136990.db2.gz WLPIPKHEKATREP-MRXNPFEDSA-N 2 0 260.425 3.659 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000566388869 1128543201 /nfs/dbraw/zinc/54/32/01/1128543201.db2.gz UFJPYFFVKOUXTE-FHERZECASA-N 2 0 252.446 3.584 20 30 CHEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823504 1128727406 /nfs/dbraw/zinc/72/74/06/1128727406.db2.gz LTRVLPVGVUTYDY-MRXNPFEDSA-N 2 0 299.462 3.671 20 30 CHEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397610378 1118264829 /nfs/dbraw/zinc/26/48/29/1118264829.db2.gz RDNGIVWSSIYLSK-KRWDZBQOSA-N 2 0 286.463 3.843 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000471610786 1118492975 /nfs/dbraw/zinc/49/29/75/1118492975.db2.gz NVBBXDIKSFUDLD-FUHWJXTLSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCN1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000236815689 1118923737 /nfs/dbraw/zinc/92/37/37/1118923737.db2.gz GMMZXLVYMOFKTN-UHFFFAOYSA-N 2 0 278.484 3.831 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccco1 ZINC000650757066 1119414841 /nfs/dbraw/zinc/41/48/41/1119414841.db2.gz NZUSNXLQSHJVLM-KRWDZBQOSA-N 2 0 284.403 3.796 20 30 CHEDRP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000414178005 1119928512 /nfs/dbraw/zinc/92/85/12/1119928512.db2.gz JPHPGVMAMJSREY-HOTGVXAUSA-N 2 0 276.424 3.608 20 30 CHEDRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181513813 1128884879 /nfs/dbraw/zinc/88/48/79/1128884879.db2.gz XVBFKCLNBGNMQZ-BBWFWOEESA-N 2 0 299.462 3.577 20 30 CHEDRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1 ZINC000902777199 1120031330 /nfs/dbraw/zinc/03/13/30/1120031330.db2.gz UBDLBZCBTAHWDK-IBGZPJMESA-N 2 0 297.446 3.616 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C1 ZINC000651750080 1120733439 /nfs/dbraw/zinc/73/34/39/1120733439.db2.gz VLKBOUHXKWZTID-GVDBMIGSSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CC[N@H+](Cc1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336971 1120832984 /nfs/dbraw/zinc/83/29/84/1120832984.db2.gz XTYXITWYNDRXCY-UHFFFAOYSA-N 2 0 298.455 3.582 20 30 CHEDRP C=CCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237751 1121219598 /nfs/dbraw/zinc/21/95/98/1121219598.db2.gz VQTLTSDXUQCWIU-LJQANCHMSA-N 2 0 284.447 3.551 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000766124411 1121287738 /nfs/dbraw/zinc/28/77/38/1121287738.db2.gz XTNYNWSNQHAMQP-DLBZAZTESA-N 2 0 266.473 3.763 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001180811548 1122017331 /nfs/dbraw/zinc/01/73/31/1122017331.db2.gz SCRDUEHEKZXQLC-HZPDHXFCSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N2CCCC[C@H]2C)C1 ZINC001199295882 1123026569 /nfs/dbraw/zinc/02/65/69/1123026569.db2.gz MGCXOKOOQWASHQ-VQHPVUNQSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003214 1123174231 /nfs/dbraw/zinc/17/42/31/1123174231.db2.gz KECQPVXGXFZSDS-JWTNVVGKSA-N 2 0 276.468 3.680 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccco1 ZINC000579593684 1123215490 /nfs/dbraw/zinc/21/54/90/1123215490.db2.gz DQEBOFIFQVXOKP-MRXNPFEDSA-N 2 0 270.376 3.535 20 30 CHEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000526941597 1124530249 /nfs/dbraw/zinc/53/02/49/1124530249.db2.gz DIZZBLZWBVZTRA-MRXNPFEDSA-N 2 0 299.462 3.671 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449480775 1124756547 /nfs/dbraw/zinc/75/65/47/1124756547.db2.gz ZPDWINOLCCIGOB-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449487354 1124765935 /nfs/dbraw/zinc/76/59/35/1124765935.db2.gz YHKFGXYEKLOQDP-RDJZCZTQSA-N 2 0 278.484 3.831 20 30 CHEDRP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246116679 1131337061 /nfs/dbraw/zinc/33/70/61/1131337061.db2.gz WRVOVUZGHFJLLY-JKSUJKDBSA-N 2 0 254.462 3.715 20 30 CHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC2(C)CC[NH2+]CC2)cc1 ZINC001168189705 1125367853 /nfs/dbraw/zinc/36/78/53/1125367853.db2.gz YDYOWITVNWMJDZ-GOSISDBHSA-N 2 0 299.462 3.564 20 30 CHEDRP C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248972722 1125456927 /nfs/dbraw/zinc/45/69/27/1125456927.db2.gz SZOJZRPGVOGCOE-QFBILLFUSA-N 2 0 297.446 3.570 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000643549229 1129445457 /nfs/dbraw/zinc/44/54/57/1129445457.db2.gz VDTNFPNUCCIYFX-MKXGPGLRSA-N 2 0 284.447 3.672 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119836 1129699924 /nfs/dbraw/zinc/69/99/24/1129699924.db2.gz XKJQXPUWFSRQKZ-WCXIOVBPSA-N 2 0 266.473 3.950 20 30 CHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239808585 1130116868 /nfs/dbraw/zinc/11/68/68/1130116868.db2.gz FOGHONQJXIPIPM-IBGZPJMESA-N 2 0 293.414 3.530 20 30 CHEDRP N#CC1(CCCC[N@@H+](CCC[NH3+])CC2CCCC2)CCC1 ZINC000903749599 1130196632 /nfs/dbraw/zinc/19/66/32/1130196632.db2.gz MSAXXBVVIGRKOE-UHFFFAOYSA-N 2 0 291.483 3.692 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235674312 1130765544 /nfs/dbraw/zinc/76/55/44/1130765544.db2.gz RPIQXVDVKMFJRQ-FDMDGMSGSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC(C[NH2+]C)CC1 ZINC001235679720 1130768381 /nfs/dbraw/zinc/76/83/81/1130768381.db2.gz WKURFRFUSGVWQE-UHFFFAOYSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CC[N@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001235962707 1130819211 /nfs/dbraw/zinc/81/92/11/1130819211.db2.gz PLFSALYYIZFQMA-UHFFFAOYSA-N 2 0 298.455 3.582 20 30 CHEDRP C=CCCCCCCCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409191 1130931603 /nfs/dbraw/zinc/93/16/03/1130931603.db2.gz YKWXFYCWLBLRKG-KRWDZBQOSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458682 1130946386 /nfs/dbraw/zinc/94/63/86/1130946386.db2.gz VPGBCAROCZCQTL-UHFFFAOYSA-N 2 0 266.473 3.833 20 30 CHEDRP CCCCCCCCC[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236459629 1130947190 /nfs/dbraw/zinc/94/71/90/1130947190.db2.gz BOFSGIBOKQRXCM-UHFFFAOYSA-N 2 0 298.515 3.828 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815143421 1130965491 /nfs/dbraw/zinc/96/54/91/1130965491.db2.gz KJSZMHOTOJASBZ-QGZVFWFLSA-N 2 0 266.473 3.765 20 30 CHEDRP Cc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001236551027 1130973048 /nfs/dbraw/zinc/97/30/48/1130973048.db2.gz JKYHVZDHEKOJPS-WGSAOQKQSA-N 2 0 299.462 3.595 20 30 CHEDRP C=CCCCCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550043 1130973582 /nfs/dbraw/zinc/97/35/82/1130973582.db2.gz BOAOQPZXKBOHRH-QAQDUYKDSA-N 2 0 264.457 3.715 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001237356103 1131089987 /nfs/dbraw/zinc/08/99/87/1131089987.db2.gz GVKROTVXIMKFFS-INIZCTEOSA-N 2 0 264.457 3.716 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380206 1131093107 /nfs/dbraw/zinc/09/31/07/1131093107.db2.gz FZKSWQRWTQVONU-MSOLQXFVSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCCCCCCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246239832 1131426393 /nfs/dbraw/zinc/42/63/93/1131426393.db2.gz KHLNLNBAUCTAAP-UHFFFAOYSA-N 2 0 296.499 3.628 20 30 CHEDRP CCCCCCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625158 1131722208 /nfs/dbraw/zinc/72/22/08/1131722208.db2.gz PMIYRHMXWSIOCB-ZACQAIPSSA-N 2 0 266.473 3.667 20 30 CHEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001246794839 1131784253 /nfs/dbraw/zinc/78/42/53/1131784253.db2.gz HDLNOJKQZCWGMK-JKSUJKDBSA-N 2 0 254.462 3.796 20 30 CHEDRP CCCCCCCCCC[N@H+](C)[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246938883 1131822209 /nfs/dbraw/zinc/82/22/09/1131822209.db2.gz OTZQNGRRPHWQMN-KRWDZBQOSA-N 2 0 296.499 3.580 20 30 CHEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716717267 1132030805 /nfs/dbraw/zinc/03/08/05/1132030805.db2.gz JABNWEGGEQTAHZ-FHWLQOOXSA-N 2 0 284.447 3.595 20 30 CHEDRP CCCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107929 1132129891 /nfs/dbraw/zinc/12/98/91/1132129891.db2.gz LUBVGUPADJBYRI-BJWYYQGGSA-N 2 0 266.473 3.952 20 30 CHEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172479770 1132227598 /nfs/dbraw/zinc/22/75/98/1132227598.db2.gz KRABOUCGSNWVJI-KRWDZBQOSA-N 2 0 299.462 3.571 20 30 CHEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172479772 1132228168 /nfs/dbraw/zinc/22/81/68/1132228168.db2.gz KRABOUCGSNWVJI-QGZVFWFLSA-N 2 0 299.462 3.571 20 30 CHEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001172479124 1132228447 /nfs/dbraw/zinc/22/84/47/1132228447.db2.gz JSBHGRVHXOCACV-LMMKCTJWSA-N 2 0 299.462 3.711 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493818 1132247980 /nfs/dbraw/zinc/24/79/80/1132247980.db2.gz WBDPVONRYGMOIF-BFYDXBDKSA-N 2 0 277.456 3.583 20 30 CHEDRP C=C(C)C[N@@H+](CC)C1CCC([NH+](CC)CC)CC1 ZINC001173114364 1132395037 /nfs/dbraw/zinc/39/50/37/1132395037.db2.gz IBMOHFKFHKIVTC-UHFFFAOYSA-N 2 0 252.446 3.537 20 30 CHEDRP CCCCCCCC[C@@H](CCC)[NH2+]C1CC([NH3+])C1 ZINC001173309246 1132449589 /nfs/dbraw/zinc/44/95/89/1132449589.db2.gz GQZZBRDBVYMGEI-HWOWSKLDSA-N 2 0 254.462 3.985 20 30 CHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001162403563 1133074734 /nfs/dbraw/zinc/07/47/34/1133074734.db2.gz FHPKQSHINVSQFN-QXAKKESOSA-N 2 0 299.462 3.691 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC001206500824 1133710845 /nfs/dbraw/zinc/71/08/45/1133710845.db2.gz SFDWIEMIAAJXSH-UHFFFAOYSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCC/C=C/C[N@H+]1CCc2nccn2CC1 ZINC001208119208 1133878268 /nfs/dbraw/zinc/87/82/68/1133878268.db2.gz YARUTZRQVVQHLV-CMDGGOBGSA-N 2 0 275.440 3.658 20 30 CHEDRP CCCCCCC[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001208599312 1133918973 /nfs/dbraw/zinc/91/89/73/1133918973.db2.gz DPIMTHPXGWGVIA-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)C1CCN(CC)CC1 ZINC001209439438 1134020157 /nfs/dbraw/zinc/02/01/57/1134020157.db2.gz PTLJJQQHRRQFBG-UHFFFAOYSA-N 2 0 266.473 3.929 20 30 CHEDRP C=CCCCCCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209441272 1134023239 /nfs/dbraw/zinc/02/32/39/1134023239.db2.gz GOKVHYUGASZRJL-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=CCCCC[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222110051 1135193052 /nfs/dbraw/zinc/19/30/52/1135193052.db2.gz VJZFSNHWGPSCHR-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000103033617 185804332 /nfs/dbraw/zinc/80/43/32/185804332.db2.gz AMZYESBEZAZHGU-UHFFFAOYSA-N 2 0 254.462 3.809 20 30 CHEDRP C=CCC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000278963292 330121047 /nfs/dbraw/zinc/12/10/47/330121047.db2.gz NXBSLLMMXJRQEH-INIZCTEOSA-N 2 0 276.424 3.749 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422991475 330163170 /nfs/dbraw/zinc/16/31/70/330163170.db2.gz BEZSNMKCQDXVKY-RDJZCZTQSA-N 2 0 260.425 3.801 20 30 CHEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423291801 330187537 /nfs/dbraw/zinc/18/75/37/330187537.db2.gz JWKYOFUXPWRCOR-STQMWFEESA-N 2 0 297.377 3.568 20 30 CHEDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503076 330208520 /nfs/dbraw/zinc/20/85/20/330208520.db2.gz MLAOJKNFEQHHMG-HNAYVOBHSA-N 2 0 293.414 3.689 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000089215351 330381309 /nfs/dbraw/zinc/38/13/09/330381309.db2.gz ZBMSLWQUCDIFGO-LJQANCHMSA-N 2 0 299.462 3.632 20 30 CHEDRP C=CCCC[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000537045993 330394196 /nfs/dbraw/zinc/39/41/96/330394196.db2.gz KRRISYGYZKDMNC-MRXNPFEDSA-N 2 0 266.473 3.785 20 30 CHEDRP C=CCCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548159019 334143795 /nfs/dbraw/zinc/14/37/95/334143795.db2.gz PBEFKEXSDJJJDP-HKUYNNGSSA-N 2 0 286.463 3.843 20 30 CHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245925311 334224240 /nfs/dbraw/zinc/22/42/40/334224240.db2.gz RKUVWSGFKMCAHW-AEFFLSMTSA-N 2 0 299.462 3.577 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209442278 1118061835 /nfs/dbraw/zinc/06/18/35/1118061835.db2.gz PGDVJVFZTCEPHL-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=CCCCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001209446345 1118064051 /nfs/dbraw/zinc/06/40/51/1118064051.db2.gz XLIGSPHDJVORDN-GOSISDBHSA-N 2 0 278.484 3.931 20 30 CHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273152 1121278088 /nfs/dbraw/zinc/27/80/88/1121278088.db2.gz CMSMTCSRYKVIOB-CALCHBBNSA-N 2 0 293.499 3.664 20 30 CHEDRP C=CC[C@@H]1[NH+](CC[C@H]2CCC[N@H+]2C)CCCC1(C)C ZINC000444794098 1124064945 /nfs/dbraw/zinc/06/49/45/1124064945.db2.gz UPWHZIXQQZQPMY-CVEARBPZSA-N 2 0 264.457 3.537 20 30 CHEDRP CCCCCCC[C@H](C)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016792 1131841712 /nfs/dbraw/zinc/84/17/12/1131841712.db2.gz XWXBTPMKBDLDMJ-GVDBMIGSSA-N 2 0 266.473 3.809 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000651750198 1129747004 /nfs/dbraw/zinc/74/70/04/1129747004.db2.gz ZZXGMUPRVNUUKI-KGLIPLIRSA-N 2 0 264.457 3.630 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668435229 1126885863 /nfs/dbraw/zinc/88/58/63/1126885863.db2.gz AKZYQIBMPWUBBT-VQIMIIECSA-N 2 0 299.462 3.775 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572242608 1127196515 /nfs/dbraw/zinc/19/65/15/1127196515.db2.gz SGGFTNKDTUHYIZ-WMZOPIPTSA-N 2 0 284.447 3.738 20 30 CHEDRP C#CCCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286105430 1127258589 /nfs/dbraw/zinc/25/85/89/1127258589.db2.gz MUXDNUDGRRSPNY-UHFFFAOYSA-N 2 0 298.474 3.823 20 30 CHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000591576915 1127309541 /nfs/dbraw/zinc/30/95/41/1127309541.db2.gz NFWSVRPACWPOFO-SFHVURJKSA-N 2 0 297.446 3.577 20 30 CHEDRP C=C(CC)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000358736705 1127432936 /nfs/dbraw/zinc/43/29/36/1127432936.db2.gz LXFDJNJVBYOFBR-UHFFFAOYSA-N 2 0 287.451 3.586 20 30 CHEDRP CC[N@H+](CCC1CC[NH+](CCCCC#N)CC1)CC(C)C ZINC000358738839 1127432821 /nfs/dbraw/zinc/43/28/21/1127432821.db2.gz SHMVTEXFSNQUCQ-UHFFFAOYSA-N 2 0 293.499 3.760 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602512691 1127590095 /nfs/dbraw/zinc/59/00/95/1127590095.db2.gz MUGKBGWDGKDZRG-INIZCTEOSA-N 2 0 287.451 3.558 20 30 CHEDRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980671 1127648841 /nfs/dbraw/zinc/64/88/41/1127648841.db2.gz NQTNIZGWBQZRHY-MSOLQXFVSA-N 2 0 299.462 3.884 20 30 CHEDRP C[C@H](CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000411350612 1127856382 /nfs/dbraw/zinc/85/63/82/1127856382.db2.gz SGQUCFVWBHJBBS-IAGOWNOFSA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764408 1128141203 /nfs/dbraw/zinc/14/12/03/1128141203.db2.gz HDYLAVVBQGMCQA-NJAFHUGGSA-N 2 0 272.436 3.672 20 30 CHEDRP C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926709341 1128189104 /nfs/dbraw/zinc/18/91/04/1128189104.db2.gz AGXGRONWISWEEY-INIZCTEOSA-N 2 0 299.462 3.873 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930001333 1128297110 /nfs/dbraw/zinc/29/71/10/1128297110.db2.gz UVSOAEOMNCKMSD-DLBZAZTESA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000561620954 1128341799 /nfs/dbraw/zinc/34/17/99/1128341799.db2.gz LROYSBAPNIBXHD-MRXNPFEDSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CCC[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258012 1128561778 /nfs/dbraw/zinc/56/17/78/1128561778.db2.gz DPDSAOPRBYXCLK-IAGOWNOFSA-N 2 0 290.451 3.997 20 30 CHEDRP C=CCC[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258011 1128561702 /nfs/dbraw/zinc/56/17/02/1128561702.db2.gz DPDSAOPRBYXCLK-DLBZAZTESA-N 2 0 290.451 3.997 20 30 CHEDRP C=CCCCCCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768098 1117828214 /nfs/dbraw/zinc/82/82/14/1117828214.db2.gz HBELMZCQYPIRHN-HOTGVXAUSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623551185 1117871482 /nfs/dbraw/zinc/87/14/82/1117871482.db2.gz OLWNDVFBLQCAIV-QZTJIDSGSA-N 2 0 286.463 3.636 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000542666305 1118213661 /nfs/dbraw/zinc/21/36/61/1118213661.db2.gz XHAKNGPFQCUWIF-MRXNPFEDSA-N 2 0 274.452 3.971 20 30 CHEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554819 1119031753 /nfs/dbraw/zinc/03/17/53/1119031753.db2.gz UWQBKLUJVRRLJU-FQEVSTJZSA-N 2 0 298.474 3.941 20 30 CHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000052208868 1119323481 /nfs/dbraw/zinc/32/34/81/1119323481.db2.gz KXLCYKUUIIJKFM-UHFFFAOYSA-N 2 0 299.462 3.502 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC)CC1 ZINC000657823079 1119468085 /nfs/dbraw/zinc/46/80/85/1119468085.db2.gz IHZXTECDUSQVTE-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657842317 1119505580 /nfs/dbraw/zinc/50/55/80/1119505580.db2.gz AYUICWVBBHKZJZ-FUHWJXTLSA-N 2 0 276.468 3.585 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248735313 1119535570 /nfs/dbraw/zinc/53/55/70/1119535570.db2.gz NMZDLACYLKVDEN-WMZOPIPTSA-N 2 0 276.468 3.682 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N2CCC[C@H](C)C2)C1 ZINC001648920612 1119595257 /nfs/dbraw/zinc/59/52/57/1119595257.db2.gz DMEGHMQMHGYLDF-GVDBMIGSSA-N 2 0 278.484 3.831 20 30 CHEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000765927380 1120211292 /nfs/dbraw/zinc/21/12/92/1120211292.db2.gz RNAIPIBNWSPLEK-MSOLQXFVSA-N 2 0 291.483 3.705 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCCC)CC2)C1 ZINC000651689423 1120711839 /nfs/dbraw/zinc/71/18/39/1120711839.db2.gz UIHSQPWBNZIVJO-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228082681 1120767953 /nfs/dbraw/zinc/76/79/53/1120767953.db2.gz URTCENJMYGCFKC-QGZVFWFLSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466484 1120981625 /nfs/dbraw/zinc/98/16/25/1120981625.db2.gz UMFUWHSOVMESRP-SJLPKXTDSA-N 2 0 278.484 3.833 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[N@H+](CCC#N)C1CCCC1 ZINC001167824361 1120996948 /nfs/dbraw/zinc/99/69/48/1120996948.db2.gz GTPBSIIVPJLBIU-INIZCTEOSA-N 2 0 279.472 3.655 20 30 CHEDRP CCCC[N@H+](CCC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167828052 1121006412 /nfs/dbraw/zinc/00/64/12/1121006412.db2.gz VPKUEHNAODAKPX-MRXNPFEDSA-N 2 0 267.461 3.513 20 30 CHEDRP C=CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C(C)(C)C ZINC001167841007 1121052754 /nfs/dbraw/zinc/05/27/54/1121052754.db2.gz JHWVCNTURVROTH-OAHLLOKOSA-N 2 0 254.462 3.783 20 30 CHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273175 1121277563 /nfs/dbraw/zinc/27/75/63/1121277563.db2.gz CMSMTCSRYKVIOB-IAGOWNOFSA-N 2 0 293.499 3.664 20 30 CHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)CCC#N)CC1)CC1CC1 ZINC000411421674 1121584650 /nfs/dbraw/zinc/58/46/50/1121584650.db2.gz BLUGZYKQQNKCST-MRXNPFEDSA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280245740 1121879980 /nfs/dbraw/zinc/87/99/80/1121879980.db2.gz YNUZFRHIHUWPGV-LDLYASANSA-N 2 0 284.447 3.738 20 30 CHEDRP CCC#C[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001190792373 1122556194 /nfs/dbraw/zinc/55/61/94/1122556194.db2.gz VGYPORNAOXUWHY-SFHVURJKSA-N 2 0 298.474 3.632 20 30 CHEDRP CCCCCCCC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252136112 1123228690 /nfs/dbraw/zinc/22/86/90/1123228690.db2.gz MRFMTPYYFXAXTR-GOSISDBHSA-N 2 0 298.515 3.564 20 30 CHEDRP CCCCCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000863540008 1123875877 /nfs/dbraw/zinc/87/58/77/1123875877.db2.gz PKWDGJUPKVCDDW-WBVHZDCISA-N 2 0 262.441 3.505 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000866515813 1124077328 /nfs/dbraw/zinc/07/73/28/1124077328.db2.gz JBGLPBJLYTXBSR-CGZBRXJRSA-N 2 0 264.457 3.584 20 30 CHEDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511215 1124482888 /nfs/dbraw/zinc/48/28/88/1124482888.db2.gz SKPFORGXKYGIAD-QFBILLFUSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000448032054 1124558471 /nfs/dbraw/zinc/55/84/71/1124558471.db2.gz VTSDAPNLBDRQAW-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449099469 1124646553 /nfs/dbraw/zinc/64/65/53/1124646553.db2.gz TXNAJJWWIBLYSF-HNNXBMFYSA-N 2 0 264.457 3.728 20 30 CHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449130690 1124652913 /nfs/dbraw/zinc/65/29/13/1124652913.db2.gz HHNVEMPWWRTZPF-UHFFFAOYSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238949676 1131275583 /nfs/dbraw/zinc/27/55/83/1131275583.db2.gz ICEKEGVTEMTCOP-LJQANCHMSA-N 2 0 282.431 3.776 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449484146 1124764804 /nfs/dbraw/zinc/76/48/04/1124764804.db2.gz FOELHYUQGKKZAK-RDJZCZTQSA-N 2 0 278.484 3.831 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098559 1131313430 /nfs/dbraw/zinc/31/34/30/1131313430.db2.gz JVPKDGBTQHQURT-HRCADAONSA-N 2 0 254.462 3.571 20 30 CHEDRP C=CC[C@@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574330 1125162645 /nfs/dbraw/zinc/16/26/45/1125162645.db2.gz QBNNWXZQFNULNS-ZBFHGGJFSA-N 2 0 292.492 3.775 20 30 CHEDRP C=CC[C@@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574327 1125163164 /nfs/dbraw/zinc/16/31/64/1125163164.db2.gz QBNNWXZQFNULNS-GDBMZVCRSA-N 2 0 292.492 3.775 20 30 CHEDRP C[NH+]1CCC2(CC1)CC[NH+](CCCCC(C)(C)C#N)CC2 ZINC000879250508 1125203986 /nfs/dbraw/zinc/20/39/86/1125203986.db2.gz GUMHFOPSJJUAMQ-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP CC(C)(C#N)CCC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880571059 1125280638 /nfs/dbraw/zinc/28/06/38/1125280638.db2.gz NBIWSJSBWYOBLL-KRWDZBQOSA-N 2 0 296.418 3.544 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001246132908 1131346981 /nfs/dbraw/zinc/34/69/81/1131346981.db2.gz FVPYQGINBQYNRN-NCOADZHNSA-N 2 0 266.473 3.571 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000883171660 1125374775 /nfs/dbraw/zinc/37/47/75/1125374775.db2.gz FBTWTEKKMFGSGA-RTBURBONSA-N 2 0 298.474 3.638 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000643549231 1129446201 /nfs/dbraw/zinc/44/62/01/1129446201.db2.gz VDTNFPNUCCIYFX-OKYOBFRVSA-N 2 0 284.447 3.672 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001246187319 1131384689 /nfs/dbraw/zinc/38/46/89/1131384689.db2.gz GLKREBTYRUHDIC-HRCADAONSA-N 2 0 254.462 3.841 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000651750199 1129747112 /nfs/dbraw/zinc/74/71/12/1129747112.db2.gz ZZXGMUPRVNUUKI-UONOGXRCSA-N 2 0 264.457 3.630 20 30 CHEDRP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001246212630 1131401554 /nfs/dbraw/zinc/40/15/54/1131401554.db2.gz BOZPRLLKTSPISK-XHSDSOJGSA-N 2 0 254.462 3.843 20 30 CHEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000902388790 1130005528 /nfs/dbraw/zinc/00/55/28/1130005528.db2.gz QKPKJMLPAZRBFG-MSOLQXFVSA-N 2 0 299.462 3.789 20 30 CHEDRP CCCCCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000792208413 1130433995 /nfs/dbraw/zinc/43/39/95/1130433995.db2.gz HELPGSFCHSHZGR-UHFFFAOYSA-N 2 0 254.462 3.763 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025105 1130702834 /nfs/dbraw/zinc/70/28/34/1130702834.db2.gz VUSUHPUFOWLSJK-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CCCCCC[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235086119 1130709414 /nfs/dbraw/zinc/70/94/14/1130709414.db2.gz HQUYNIVSRFJPHC-UHFFFAOYSA-N 2 0 298.474 3.870 20 30 CHEDRP CCCCCCCC[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC001235290035 1130730749 /nfs/dbraw/zinc/73/07/49/1130730749.db2.gz FCOAKAYCZXRCSZ-UHFFFAOYSA-N 2 0 296.499 3.580 20 30 CHEDRP CCCCCCC[N@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC001235660575 1130762447 /nfs/dbraw/zinc/76/24/47/1130762447.db2.gz GZIRIHPSFDBEJS-MRXNPFEDSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884141 1130792769 /nfs/dbraw/zinc/79/27/69/1130792769.db2.gz WHSZMKRCDZNAHW-GOSISDBHSA-N 2 0 278.484 3.977 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236414183 1130932473 /nfs/dbraw/zinc/93/24/73/1130932473.db2.gz KLKJNDUQTPRTIH-HOTGVXAUSA-N 2 0 252.446 3.715 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236820010 1131014157 /nfs/dbraw/zinc/01/41/57/1131014157.db2.gz PJSSABSYPOYFOD-PNSADGCTSA-N 2 0 264.457 3.572 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001116400982 1131143516 /nfs/dbraw/zinc/14/35/16/1131143516.db2.gz AUIHPCLNMAHQSJ-INIZCTEOSA-N 2 0 277.456 3.645 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246242618 1131426509 /nfs/dbraw/zinc/42/65/09/1131426509.db2.gz GBAHQHKRXZCMLQ-OAGGEKHMSA-N 2 0 254.462 3.856 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478446 1131522681 /nfs/dbraw/zinc/52/26/81/1131522681.db2.gz OOTLUZCXHHXHEM-OAGGEKHMSA-N 2 0 254.462 3.985 20 30 CHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC001171339453 1131872757 /nfs/dbraw/zinc/87/27/57/1131872757.db2.gz MDPAJMUPZGRABO-RTBURBONSA-N 2 0 299.462 3.564 20 30 CHEDRP C[NH+]1C(C)(C)CC([NH2+]CCCCCCS)CC1(C)C ZINC001171630066 1132061693 /nfs/dbraw/zinc/06/16/93/1132061693.db2.gz HCGZLBGYXUIRRY-UHFFFAOYSA-N 2 0 286.529 3.718 20 30 CHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001172479125 1132228273 /nfs/dbraw/zinc/22/82/73/1132228273.db2.gz JSBHGRVHXOCACV-ZHALLVOQSA-N 2 0 299.462 3.711 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172504070 1132252528 /nfs/dbraw/zinc/25/25/28/1132252528.db2.gz CMEFGVVIDCUUDH-HRCADAONSA-N 2 0 254.462 3.985 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172505003 1132254289 /nfs/dbraw/zinc/25/42/89/1132254289.db2.gz KKCSIEGJQLPACD-INIZCTEOSA-N 2 0 291.483 3.798 20 30 CHEDRP C=CCCCCC[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001209433060 1134018944 /nfs/dbraw/zinc/01/89/44/1134018944.db2.gz PNIGHHRLJJRZGK-UHFFFAOYSA-N 2 0 266.473 3.929 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001222453292 1135244979 /nfs/dbraw/zinc/24/49/79/1135244979.db2.gz UVKCUPWKZYFOLC-GOSISDBHSA-N 2 0 288.479 3.755 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528640 1135248997 /nfs/dbraw/zinc/24/89/97/1135248997.db2.gz ZPTYDIVLGZFSAT-CMDGGOBGSA-N 2 0 270.436 3.666 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037200929 260074074 /nfs/dbraw/zinc/07/40/74/260074074.db2.gz IXRXYKMDCFFOOI-JKSUJKDBSA-N 2 0 287.451 3.719 20 30 CHEDRP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948607 263367909 /nfs/dbraw/zinc/36/79/09/263367909.db2.gz VDDVTIFANFZAED-MSOLQXFVSA-N 2 0 272.436 3.768 20 30 CHEDRP C=CCC[C@H](CC)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423503696 330208485 /nfs/dbraw/zinc/20/84/85/330208485.db2.gz NATXLCSXRZLKSX-DLBZAZTESA-N 2 0 260.425 3.801 20 30 CHEDRP C=C(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000536893230 330362439 /nfs/dbraw/zinc/36/24/39/330362439.db2.gz LIOHQWKUKWIUHA-DLBZAZTESA-N 2 0 264.457 3.539 20 30 CHEDRP C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000467412774 331418247 /nfs/dbraw/zinc/41/82/47/331418247.db2.gz UJMCNYBRKWUZSQ-NVXWUHKLSA-N 2 0 290.451 3.632 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000089512946 334346145 /nfs/dbraw/zinc/34/61/45/334346145.db2.gz YEZXYKNGFJEEPQ-MRXNPFEDSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CC[N@H+](C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168394513 1127236822 /nfs/dbraw/zinc/23/68/22/1127236822.db2.gz AJPKNHZCSDSVSZ-UHFFFAOYSA-N 2 0 276.468 3.682 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](C)CCC#N ZINC000602512692 1127590049 /nfs/dbraw/zinc/59/00/49/1127590049.db2.gz MUGKBGWDGKDZRG-MRXNPFEDSA-N 2 0 287.451 3.558 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602599385 1127595095 /nfs/dbraw/zinc/59/50/95/1127595095.db2.gz IULKVSSYPGCAEM-KRWDZBQOSA-N 2 0 293.499 3.760 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000602617784 1127597574 /nfs/dbraw/zinc/59/75/74/1127597574.db2.gz AGEDDDHILHOAPD-MRXNPFEDSA-N 2 0 279.472 3.561 20 30 CHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)CCC#N)CC1)CC1CC1 ZINC000411421672 1127859137 /nfs/dbraw/zinc/85/91/37/1127859137.db2.gz BLUGZYKQQNKCST-INIZCTEOSA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCCC[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000540296781 1127972539 /nfs/dbraw/zinc/97/25/39/1127972539.db2.gz CKHWJSYTIZAHJT-HZPDHXFCSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CCCC[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000540296784 1127972647 /nfs/dbraw/zinc/97/26/47/1127972647.db2.gz CKHWJSYTIZAHJT-JKSUJKDBSA-N 2 0 252.446 3.537 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2CCCC)CC1 ZINC000468367503 1128003818 /nfs/dbraw/zinc/00/38/18/1128003818.db2.gz NBQLFRIUYPMMHL-SJLPKXTDSA-N 2 0 278.484 3.975 20 30 CHEDRP C=C(CC)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469766303 1128052638 /nfs/dbraw/zinc/05/26/38/1128052638.db2.gz DCPLLAGMWPLUKR-IAGOWNOFSA-N 2 0 286.463 3.699 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925209032 1128125807 /nfs/dbraw/zinc/12/58/07/1128125807.db2.gz WASIMXUAIKACFB-HNNXBMFYSA-N 2 0 291.483 3.701 20 30 CHEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036715 1128210398 /nfs/dbraw/zinc/21/03/98/1128210398.db2.gz FJLRTCHPLRMHHI-NJINODPHSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235174246 1128311793 /nfs/dbraw/zinc/31/17/93/1128311793.db2.gz SNDYCWYZKLMWOR-QGZVFWFLSA-N 2 0 264.457 3.731 20 30 CHEDRP CCCCCCCCCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257547075 1128591507 /nfs/dbraw/zinc/59/15/07/1128591507.db2.gz LDWDLOIHLWFQBE-MRXNPFEDSA-N 2 0 298.519 3.759 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650758073 1119416854 /nfs/dbraw/zinc/41/68/54/1119416854.db2.gz ICTZQTSNYNGYJK-QGZVFWFLSA-N 2 0 260.425 3.631 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657842314 1119505856 /nfs/dbraw/zinc/50/58/56/1119505856.db2.gz AYUICWVBBHKZJZ-AEFFLSMTSA-N 2 0 276.468 3.585 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657842320 1119505893 /nfs/dbraw/zinc/50/58/93/1119505893.db2.gz AYUICWVBBHKZJZ-SJLPKXTDSA-N 2 0 276.468 3.585 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000657993891 1119663141 /nfs/dbraw/zinc/66/31/41/1119663141.db2.gz MQPIVQNESBBXEQ-FUHWJXTLSA-N 2 0 276.468 3.585 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000657993892 1119663154 /nfs/dbraw/zinc/66/31/54/1119663154.db2.gz MQPIVQNESBBXEQ-SJLPKXTDSA-N 2 0 276.468 3.585 20 30 CHEDRP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000414178004 1119928397 /nfs/dbraw/zinc/92/83/97/1119928397.db2.gz JPHPGVMAMJSREY-CVEARBPZSA-N 2 0 276.424 3.608 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000181511322 1128884086 /nfs/dbraw/zinc/88/40/86/1128884086.db2.gz DWPYRIXZAYGNAV-IRXDYDNUSA-N 2 0 299.462 3.863 20 30 CHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000182045692 1128926025 /nfs/dbraw/zinc/92/60/25/1128926025.db2.gz RKUVWSGFKMCAHW-FUHWJXTLSA-N 2 0 299.462 3.577 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000651749819 1120732978 /nfs/dbraw/zinc/73/29/78/1120732978.db2.gz KOKYXTGIZWJVKR-QAPCUYQASA-N 2 0 272.436 3.583 20 30 CHEDRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000572708175 1121394433 /nfs/dbraw/zinc/39/44/33/1121394433.db2.gz WRNODFJFJZSGDF-QFBILLFUSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379904 1129034015 /nfs/dbraw/zinc/03/40/15/1129034015.db2.gz DLNHWEDGTNIQAG-SJORKVTESA-N 2 0 264.457 3.587 20 30 CHEDRP C#C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001195567984 1122878497 /nfs/dbraw/zinc/87/84/97/1122878497.db2.gz NUVIBFSNFBWHCI-GOSISDBHSA-N 2 0 296.458 3.518 20 30 CHEDRP C#CCC1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC001198033526 1122979896 /nfs/dbraw/zinc/97/98/96/1122979896.db2.gz IOBQTHWAQMVKKX-UHFFFAOYSA-N 2 0 296.458 3.708 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001201567263 1123125841 /nfs/dbraw/zinc/12/58/41/1123125841.db2.gz WGLOOZZIQASILD-KURKYZTESA-N 2 0 278.484 3.689 20 30 CHEDRP CCCCCCCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001201852555 1123152567 /nfs/dbraw/zinc/15/25/67/1123152567.db2.gz DAJINLOTHYLPHC-UHFFFAOYSA-N 2 0 266.473 3.765 20 30 CHEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301248540 1123884985 /nfs/dbraw/zinc/88/49/85/1123884985.db2.gz INSTUBUHERRSNB-UHFFFAOYSA-N 2 0 299.393 3.826 20 30 CHEDRP CC1CC[NH+](CCCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449081226 1124646629 /nfs/dbraw/zinc/64/66/29/1124646629.db2.gz CSWAVKFXCLAJKX-UHFFFAOYSA-N 2 0 291.483 3.561 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246110258 1131329794 /nfs/dbraw/zinc/32/97/94/1131329794.db2.gz HXCCPAOMAICWRQ-CVEARBPZSA-N 2 0 254.462 3.715 20 30 CHEDRP CC[NH+](Cc1cc(C#N)cc(C[N@@H+](CC)C2CC2)c1)C1CC1 ZINC000877954679 1125105745 /nfs/dbraw/zinc/10/57/45/1125105745.db2.gz NTMRCKLGRCRTEP-UHFFFAOYSA-N 2 0 297.446 3.527 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001246115617 1131338641 /nfs/dbraw/zinc/33/86/41/1131338641.db2.gz ZBGGRRDQSAOBAE-XHSDSOJGSA-N 2 0 254.462 3.713 20 30 CHEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729365 1125282490 /nfs/dbraw/zinc/28/24/90/1125282490.db2.gz WYSUZINYYOXUNV-IBGZPJMESA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639306473 1129301584 /nfs/dbraw/zinc/30/15/84/1129301584.db2.gz DOGOTHKTTBEDTL-FUHWJXTLSA-N 2 0 270.420 3.520 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250795128 1129497858 /nfs/dbraw/zinc/49/78/58/1129497858.db2.gz AOOIEBCGQGVXEZ-BBWFWOEESA-N 2 0 266.473 3.952 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001246187320 1131384350 /nfs/dbraw/zinc/38/43/50/1131384350.db2.gz GLKREBTYRUHDIC-JYJNAYRXSA-N 2 0 254.462 3.841 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+]CCC1(O)CC[NH2+]CC1 ZINC001246188671 1131388603 /nfs/dbraw/zinc/38/86/03/1131388603.db2.gz TXWUZIDLSXHFTR-QGZVFWFLSA-N 2 0 298.515 3.610 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000103028038 1129684060 /nfs/dbraw/zinc/68/40/60/1129684060.db2.gz NQTULGVNJSFIGW-HOTGVXAUSA-N 2 0 266.473 3.809 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000768517869 1129862188 /nfs/dbraw/zinc/86/21/88/1129862188.db2.gz PQETUBCWASXBCX-KRWDZBQOSA-N 2 0 298.515 3.560 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000793526722 1130563575 /nfs/dbraw/zinc/56/35/75/1130563575.db2.gz NPPRPULOEHGXMC-MRXNPFEDSA-N 2 0 266.473 3.833 20 30 CHEDRP CCCCCCC/C=C/CN1CCC12CC[NH2+]CC2 ZINC001235102458 1130710347 /nfs/dbraw/zinc/71/03/47/1130710347.db2.gz NJVOERBJMNJYJY-CMDGGOBGSA-N 2 0 264.457 3.731 20 30 CHEDRP N#CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235662855 1130763309 /nfs/dbraw/zinc/76/33/09/1130763309.db2.gz AMRZGLGMVVSRLJ-KRWDZBQOSA-N 2 0 291.483 3.705 20 30 CHEDRP C=CCCCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552498 1130974809 /nfs/dbraw/zinc/97/48/09/1130974809.db2.gz WIPFCMYQHXXJRU-WKILWMFISA-N 2 0 252.446 3.571 20 30 CHEDRP C=CCCCCCC[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632999 1130986763 /nfs/dbraw/zinc/98/67/63/1130986763.db2.gz DYRMARDZSZGMAW-UHFFFAOYSA-N 2 0 264.457 3.729 20 30 CHEDRP C=CCCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236682574 1130992173 /nfs/dbraw/zinc/99/21/73/1130992173.db2.gz VRKCZGCEJDKFLT-IYARVYRRSA-N 2 0 272.436 3.725 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001116400984 1131142692 /nfs/dbraw/zinc/14/26/92/1131142692.db2.gz AUIHPCLNMAHQSJ-MRXNPFEDSA-N 2 0 277.456 3.645 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000817949750 1131189248 /nfs/dbraw/zinc/18/92/48/1131189248.db2.gz UUOGEUOEZUTYEB-KRWDZBQOSA-N 2 0 284.403 3.578 20 30 CHEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246228993 1131415736 /nfs/dbraw/zinc/41/57/36/1131415736.db2.gz HTQCFWMXIBGNFC-HUUCEWRRSA-N 2 0 254.462 3.713 20 30 CHEDRP C=C(C)C[N@@H+](CC)Cc1ccc(-n2ccnc2C)cc1 ZINC001138549044 1131519785 /nfs/dbraw/zinc/51/97/85/1131519785.db2.gz OWQDXXUTJANOJG-UHFFFAOYSA-N 2 0 269.392 3.579 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535474 1131573711 /nfs/dbraw/zinc/57/37/11/1131573711.db2.gz MHDLDFIYOQBLJF-IAGOWNOFSA-N 2 0 284.488 3.565 20 30 CHEDRP CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541937 1131582610 /nfs/dbraw/zinc/58/26/10/1131582610.db2.gz HTYXSJLVIWLHLZ-ROUUACIJSA-N 2 0 298.515 3.691 20 30 CHEDRP C#C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001171571767 1132059223 /nfs/dbraw/zinc/05/92/23/1132059223.db2.gz BDBZQZQKEPYBMH-SFHVURJKSA-N 2 0 296.458 3.518 20 30 CHEDRP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984284 1132120262 /nfs/dbraw/zinc/12/02/62/1132120262.db2.gz UKQKJQILEWEATE-SFHVURJKSA-N 2 0 286.463 3.985 20 30 CHEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172487102 1132235092 /nfs/dbraw/zinc/23/50/92/1132235092.db2.gz JQMMMMZNGOTQJH-MRXNPFEDSA-N 2 0 291.483 3.561 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]CCSCC[NH3+] ZINC001172503193 1132252677 /nfs/dbraw/zinc/25/26/77/1132252677.db2.gz PNUPLUVSVLNSLI-HNNXBMFYSA-N 2 0 274.518 3.797 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013876 1132410919 /nfs/dbraw/zinc/41/09/19/1132410919.db2.gz FANCGUXEPMQBPW-UHFFFAOYSA-N 2 0 259.397 3.965 20 30 CHEDRP CCCCCCCC[C@H](CCC)[NH2+]C1CC([NH3+])C1 ZINC001173309247 1132449862 /nfs/dbraw/zinc/44/98/62/1132449862.db2.gz GQZZBRDBVYMGEI-PCKAHOCUSA-N 2 0 254.462 3.985 20 30 CHEDRP N#CCC1CCC([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332178 1132463510 /nfs/dbraw/zinc/46/35/10/1132463510.db2.gz IYSAGSKAYKFZKA-PBGYJZAOSA-N 2 0 289.467 3.583 20 30 CHEDRP CC(C)C[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173590744 1132496550 /nfs/dbraw/zinc/49/65/50/1132496550.db2.gz ASFJMSCQXVAVBM-MJYONLJCSA-N 2 0 291.483 3.687 20 30 CHEDRP CCCCCCCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843345450 1132523066 /nfs/dbraw/zinc/52/30/66/1132523066.db2.gz MBAIUQHJDGXFHF-UHFFFAOYSA-N 2 0 252.446 3.563 20 30 CHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001162403564 1133075272 /nfs/dbraw/zinc/07/52/72/1133075272.db2.gz FHPKQSHINVSQFN-YTQUADARSA-N 2 0 299.462 3.691 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205762377 1133610560 /nfs/dbraw/zinc/61/05/60/1133610560.db2.gz LRWNYPLTJMWZFR-HNNXBMFYSA-N 2 0 288.426 3.819 20 30 CHEDRP C=CCCCCCCCCCN1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205896118 1133627743 /nfs/dbraw/zinc/62/77/43/1133627743.db2.gz VVBDJGHBLYUABT-HZPDHXFCSA-N 2 0 270.436 3.664 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207286483 1133789065 /nfs/dbraw/zinc/78/90/65/1133789065.db2.gz UCUULWRSDFIQFA-UHFFFAOYSA-N 2 0 274.452 3.653 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001208124560 1133881010 /nfs/dbraw/zinc/88/10/10/1133881010.db2.gz SQJDVQBHDDFEAN-MDZDMXLPSA-N 2 0 278.484 3.931 20 30 CHEDRP C=CCCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209207071 1133987350 /nfs/dbraw/zinc/98/73/50/1133987350.db2.gz KDLYULKGTOTRFY-IRXDYDNUSA-N 2 0 264.457 3.682 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001222258579 1135216015 /nfs/dbraw/zinc/21/60/15/1135216015.db2.gz DAJMVNIBOSOPCR-MOPGFXCFSA-N 2 0 288.479 3.755 20 30 CHEDRP CCCCCCC[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596640 1135254356 /nfs/dbraw/zinc/25/43/56/1135254356.db2.gz ZIDOCOKSWIBABD-GOSISDBHSA-N 2 0 286.463 3.646 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037200928 260074061 /nfs/dbraw/zinc/07/40/61/260074061.db2.gz IXRXYKMDCFFOOI-HZPDHXFCSA-N 2 0 287.451 3.719 20 30 CHEDRP N#CCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450574 263155089 /nfs/dbraw/zinc/15/50/89/263155089.db2.gz NNOGPOFNBACNFW-QYZOEREBSA-N 2 0 297.446 3.638 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000160022072 264223697 /nfs/dbraw/zinc/22/36/97/264223697.db2.gz UWRLDMNKSHZJRK-NXHRZFHOSA-N 2 0 272.436 3.766 20 30 CHEDRP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414682813 328213765 /nfs/dbraw/zinc/21/37/65/328213765.db2.gz RZOLPNGUWHMNCU-STQMWFEESA-N 2 0 298.883 3.778 20 30 CHEDRP C=C(C)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534963318 328372116 /nfs/dbraw/zinc/37/21/16/328372116.db2.gz WSPIDHHLERKQLR-UHFFFAOYSA-N 2 0 284.447 3.551 20 30 CHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCCC#N)CC1 ZINC000103142876 327233164 /nfs/dbraw/zinc/23/31/64/327233164.db2.gz SHTSYSMINFEARP-UHFFFAOYSA-N 2 0 299.462 3.524 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000561156586 327370004 /nfs/dbraw/zinc/37/00/04/327370004.db2.gz BGEMTCRUFJQTPN-OAHLLOKOSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377587 329816984 /nfs/dbraw/zinc/81/69/84/329816984.db2.gz TXKKGMDTWNPURW-FHERZECASA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000272883046 330094225 /nfs/dbraw/zinc/09/42/25/330094225.db2.gz NTHMWTZQLDCQMQ-BQFCYCMXSA-N 2 0 272.436 3.594 20 30 CHEDRP C=C(C)[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423054430 330170579 /nfs/dbraw/zinc/17/05/79/330170579.db2.gz UJYAUKJOOYSRLT-AJUCZRQESA-N 2 0 294.389 3.689 20 30 CHEDRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293898 330187965 /nfs/dbraw/zinc/18/79/65/330187965.db2.gz SKPSORVAUJUXRL-LIRRHRJNSA-N 2 0 293.414 3.819 20 30 CHEDRP CCCC[N@H+](C)CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174860863 333009271 /nfs/dbraw/zinc/00/92/71/333009271.db2.gz ADJSYVAYYGKOCB-UHFFFAOYSA-N 2 0 293.499 3.760 20 30 CHEDRP C=CCN1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000177913718 333065560 /nfs/dbraw/zinc/06/55/60/333065560.db2.gz ZPYFKVVMJGNVSF-QGZVFWFLSA-N 2 0 286.463 3.913 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019914945 520631545 /nfs/dbraw/zinc/63/15/45/520631545.db2.gz DHTJGZHEAHXZCR-HZPDHXFCSA-N 2 0 287.451 3.719 20 30 CHEDRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278882033 522823900 /nfs/dbraw/zinc/82/39/00/522823900.db2.gz YAAGOCOFYPHNPE-LJQANCHMSA-N 2 0 299.462 3.721 20 30 CHEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000152971474 1126757828 /nfs/dbraw/zinc/75/78/28/1126757828.db2.gz YVUPHBRMFBKXNX-ZDUSSCGKSA-N 2 0 294.389 3.656 20 30 CHEDRP C=CCC[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918829 1126758643 /nfs/dbraw/zinc/75/86/43/1126758643.db2.gz DYTNBFTXJBUUQA-IPMKNSEASA-N 2 0 284.447 3.910 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041512 1130705555 /nfs/dbraw/zinc/70/55/55/1130705555.db2.gz QZSIQFALRQICCF-KRWDZBQOSA-N 2 0 266.473 3.955 20 30 CHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185885507 1126904864 /nfs/dbraw/zinc/90/48/64/1126904864.db2.gz DEEFBHLKGGPTAU-QFBILLFUSA-N 2 0 299.462 3.699 20 30 CHEDRP C=C[C@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@H]1C=C ZINC000489437281 1127103716 /nfs/dbraw/zinc/10/37/16/1127103716.db2.gz NUOKIHNIAUYHJE-JKXAQMCXSA-N 2 0 274.452 3.624 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572242605 1127196300 /nfs/dbraw/zinc/19/63/00/1127196300.db2.gz SGGFTNKDTUHYIZ-AEFFLSMTSA-N 2 0 284.447 3.738 20 30 CHEDRP CCN(CC)[C@@H](C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602501039 1127583820 /nfs/dbraw/zinc/58/38/20/1127583820.db2.gz CPFHQCLDMFLOES-AEFFLSMTSA-N 2 0 287.451 3.599 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000602509054 1127589400 /nfs/dbraw/zinc/58/94/00/1127589400.db2.gz ARAKZWDXASTMBF-KRWDZBQOSA-N 2 0 299.462 3.702 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535488 1127592057 /nfs/dbraw/zinc/59/20/57/1127592057.db2.gz OEGSYUHNTNFBHB-WMZOPIPTSA-N 2 0 291.483 3.561 20 30 CHEDRP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccc(C#N)cc1 ZINC000593717125 1127665197 /nfs/dbraw/zinc/66/51/97/1127665197.db2.gz YAEGAOBKDBXIDF-GOSISDBHSA-N 2 0 287.451 3.577 20 30 CHEDRP C=CCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000605149927 1127730439 /nfs/dbraw/zinc/73/04/39/1127730439.db2.gz QHMUQWHAVOTQIL-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2CCCC)CC1 ZINC000468367502 1128003639 /nfs/dbraw/zinc/00/36/39/1128003639.db2.gz NBQLFRIUYPMMHL-FUHWJXTLSA-N 2 0 278.484 3.975 20 30 CHEDRP C=C(C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925636742 1128134888 /nfs/dbraw/zinc/13/48/88/1128134888.db2.gz UINCTJMZKIWOSQ-IBGZPJMESA-N 2 0 280.415 3.770 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770106 1117856267 /nfs/dbraw/zinc/85/62/67/1117856267.db2.gz QUTPQZLUFVMDQK-IAGOWNOFSA-N 2 0 266.473 3.962 20 30 CHEDRP CCCCCCC[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000109185860 1117936734 /nfs/dbraw/zinc/93/67/34/1117936734.db2.gz BJJVQNJCONTBIO-OAHLLOKOSA-N 2 0 254.462 3.667 20 30 CHEDRP C=CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246695360 1119406923 /nfs/dbraw/zinc/40/69/23/1119406923.db2.gz KRGQKUJXKGYDAP-SJORKVTESA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650756263 1119413396 /nfs/dbraw/zinc/41/33/96/1119413396.db2.gz XXDDFDADZPGVMT-CYBMUJFWSA-N 2 0 264.388 3.509 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC000765836967 1120117872 /nfs/dbraw/zinc/11/78/72/1120117872.db2.gz RLBHKFUNRCJHCD-IBGZPJMESA-N 2 0 284.447 3.612 20 30 CHEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000925616285 1120470689 /nfs/dbraw/zinc/47/06/89/1120470689.db2.gz LTEUSLVUULSFGB-ZACQAIPSSA-N 2 0 285.435 3.527 20 30 CHEDRP C=C(C)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000508976501 1120567781 /nfs/dbraw/zinc/56/77/81/1120567781.db2.gz HCZLCZSDUXRTGQ-DZFIZOCASA-N 2 0 286.463 3.699 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393449 1121576678 /nfs/dbraw/zinc/57/66/78/1121576678.db2.gz SRKBMOIIDUXUAR-SJORKVTESA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379887 1129033908 /nfs/dbraw/zinc/03/39/08/1129033908.db2.gz DLNHWEDGTNIQAG-DLBZAZTESA-N 2 0 264.457 3.587 20 30 CHEDRP CCC#C[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001192499834 1122648283 /nfs/dbraw/zinc/64/82/83/1122648283.db2.gz FUTXLEUITHMKLI-KRWDZBQOSA-N 2 0 290.495 3.622 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)N2CCCC[C@@H]2C)C1 ZINC001199295880 1123026890 /nfs/dbraw/zinc/02/68/90/1123026890.db2.gz MGCXOKOOQWASHQ-NXOAAHMSSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601276 1123443197 /nfs/dbraw/zinc/44/31/97/1123443197.db2.gz MSSWJYUVSWQESH-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000509638186 1124133762 /nfs/dbraw/zinc/13/37/62/1124133762.db2.gz CAIHDQFKHLZERZ-KRWDZBQOSA-N 2 0 264.457 3.541 20 30 CHEDRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447603308 1124499652 /nfs/dbraw/zinc/49/96/52/1124499652.db2.gz XMARCFXJNRXVDE-GOSISDBHSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000449130235 1124652847 /nfs/dbraw/zinc/65/28/47/1124652847.db2.gz GBMHKXKPDSUAAJ-SJORKVTESA-N 2 0 266.473 3.831 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000449214208 1124670898 /nfs/dbraw/zinc/67/08/98/1124670898.db2.gz XUUCDIWARCUMPC-GTPINHCMSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449486746 1124764811 /nfs/dbraw/zinc/76/48/11/1124764811.db2.gz VCHUNTSAMBVGRD-WMZOPIPTSA-N 2 0 286.463 3.699 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+]CC1(C)C[NH2+]C1 ZINC001246091427 1131304311 /nfs/dbraw/zinc/30/43/11/1131304311.db2.gz AIOHPIJDDQXMAD-MRXNPFEDSA-N 2 0 268.489 3.961 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449734679 1124852088 /nfs/dbraw/zinc/85/20/88/1124852088.db2.gz NXRZJTDRHCFOGT-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718273 1125067398 /nfs/dbraw/zinc/06/73/98/1125067398.db2.gz FQKNRYKUNQRCIF-QGZVFWFLSA-N 2 0 286.463 3.594 20 30 CHEDRP C=CCCC[C@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640016915 1125367524 /nfs/dbraw/zinc/36/75/24/1125367524.db2.gz GEUBTXQQUPGMDJ-HNNXBMFYSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883173818 1125374704 /nfs/dbraw/zinc/37/47/04/1125374704.db2.gz UROYPNIFGZPLJG-VAMGGRTRSA-N 2 0 298.474 3.780 20 30 CHEDRP C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248972723 1125456818 /nfs/dbraw/zinc/45/68/18/1125456818.db2.gz SZOJZRPGVOGCOE-VQIMIIECSA-N 2 0 297.446 3.570 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651790348 1129748279 /nfs/dbraw/zinc/74/82/79/1129748279.db2.gz TVGUNLZLGXBJQV-YZGWKJHDSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000793521175 1130562525 /nfs/dbraw/zinc/56/25/25/1130562525.db2.gz VPRJUSKESFNUBD-INIZCTEOSA-N 2 0 266.473 3.975 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405492 1130738979 /nfs/dbraw/zinc/73/89/79/1130738979.db2.gz PHXARJHFUITYAC-IAGOWNOFSA-N 2 0 284.463 3.761 20 30 CHEDRP CCCCCCCCC[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235393459 1130739547 /nfs/dbraw/zinc/73/95/47/1130739547.db2.gz AHEKSLZCTYKROB-HZPDHXFCSA-N 2 0 284.463 3.746 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235663172 1130762132 /nfs/dbraw/zinc/76/21/32/1130762132.db2.gz RYXSJKVLGLSQOR-UHFFFAOYSA-N 2 0 280.481 3.796 20 30 CHEDRP CCCCCCCC[N@H+](C)CCC12CC([NH3+])(C1)C2 ZINC001235662901 1130762166 /nfs/dbraw/zinc/76/21/66/1130762166.db2.gz DOLOQDAPOGZSMH-UHFFFAOYSA-N 2 0 252.446 3.550 20 30 CHEDRP CCCCCCC[N@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC001235660574 1130762270 /nfs/dbraw/zinc/76/22/70/1130762270.db2.gz GZIRIHPSFDBEJS-INIZCTEOSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCCCC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701069 1130770591 /nfs/dbraw/zinc/77/05/91/1130770591.db2.gz FMSFHSNTWJMBAK-UHFFFAOYSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235962540 1130819520 /nfs/dbraw/zinc/81/95/20/1130819520.db2.gz MVYXUUGIYNLRNR-UHFFFAOYSA-N 2 0 292.426 3.521 20 30 CHEDRP C=CCCCC[N@@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236085583 1130854274 /nfs/dbraw/zinc/85/42/74/1130854274.db2.gz SOOGMMFHDZKJHB-UHFFFAOYSA-N 2 0 297.446 3.533 20 30 CHEDRP C=CCCCCCCC[N@@H+](CCC)C1CC[NH2+]CC1 ZINC001236180116 1130880020 /nfs/dbraw/zinc/88/00/20/1130880020.db2.gz AGNRGZYZXXNDDR-UHFFFAOYSA-N 2 0 266.473 3.977 20 30 CHEDRP C=CC[N@@H+](CCC[NH2+]C1CCCCC1)C(C)(C)C ZINC001236309398 1130912271 /nfs/dbraw/zinc/91/22/71/1130912271.db2.gz KNXRAOGUUGUAQV-UHFFFAOYSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236414186 1130932211 /nfs/dbraw/zinc/93/22/11/1130932211.db2.gz KLKJNDUQTPRTIH-JKSUJKDBSA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCCCCCCC[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236460816 1130946046 /nfs/dbraw/zinc/94/60/46/1130946046.db2.gz SNJXNGWLANNDDE-UHFFFAOYSA-N 2 0 296.499 3.604 20 30 CHEDRP CCCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817898111 1131186938 /nfs/dbraw/zinc/18/69/38/1131186938.db2.gz ZXJRDSNSGRIMES-XYPWUTKMSA-N 2 0 252.446 3.610 20 30 CHEDRP C=CCCC[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001278253339 1131219864 /nfs/dbraw/zinc/21/98/64/1131219864.db2.gz HJPNNBIMGKGPTG-ZWKOTPCHSA-N 2 0 276.468 3.920 20 30 CHEDRP CCCCCCCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246233618 1131421156 /nfs/dbraw/zinc/42/11/56/1131421156.db2.gz BVHYBAJNKRNYGG-UHFFFAOYSA-N 2 0 266.473 3.859 20 30 CHEDRP CCCCCCCC[C@H](CCC)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246291499 1131447744 /nfs/dbraw/zinc/44/77/44/1131447744.db2.gz HCTAQBVWLLPGAA-ROUUACIJSA-N 2 0 298.515 3.610 20 30 CHEDRP CCCCCCCCC[C@@H](CCC)[NH2+][C@H](N)CCC[NH3+] ZINC001246300930 1131453093 /nfs/dbraw/zinc/45/30/93/1131453093.db2.gz QKYZGMKOEOIYCY-SJORKVTESA-N 2 0 285.520 3.909 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC001246307010 1131455246 /nfs/dbraw/zinc/45/52/46/1131455246.db2.gz CMEFGVVIDCUUDH-PMPSAXMXSA-N 2 0 254.462 3.985 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824988597 1131493838 /nfs/dbraw/zinc/49/38/38/1131493838.db2.gz OQDXDRFJIAIOBF-XYTVBORESA-N 2 0 264.457 3.726 20 30 CHEDRP CCCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107930 1132129009 /nfs/dbraw/zinc/12/90/09/1132129009.db2.gz LUBVGUPADJBYRI-OSYLJGHBSA-N 2 0 266.473 3.952 20 30 CHEDRP C[C@H](CCCC#N)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001172489542 1132247130 /nfs/dbraw/zinc/24/71/30/1132247130.db2.gz UTPOENJLQTWDIW-MRXNPFEDSA-N 2 0 291.483 3.703 20 30 CHEDRP CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001172564529 1132271225 /nfs/dbraw/zinc/27/12/25/1132271225.db2.gz IEDHIYHXCZTFQF-SJORKVTESA-N 2 0 286.504 3.595 20 30 CHEDRP CC[NH+](CC)C1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC001173105938 1132391992 /nfs/dbraw/zinc/39/19/92/1132391992.db2.gz OCDWXBYHUPRUFC-VNCLNFNDSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232016004 1132411062 /nfs/dbraw/zinc/41/10/62/1132411062.db2.gz QENIVUJSLQEIGX-UHFFFAOYSA-N 2 0 277.371 3.751 20 30 CHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001162403561 1133075264 /nfs/dbraw/zinc/07/52/64/1133075264.db2.gz FHPKQSHINVSQFN-BHIYHBOVSA-N 2 0 299.462 3.691 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904517 1133628571 /nfs/dbraw/zinc/62/85/71/1133628571.db2.gz VRYXSPWPPPXQDA-JKSUJKDBSA-N 2 0 254.462 3.796 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981423 1133638393 /nfs/dbraw/zinc/63/83/93/1133638393.db2.gz CBMLAFSVKYJPMA-IAGOWNOFSA-N 2 0 266.473 3.820 20 30 CHEDRP C=CCCCC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001209199824 1133986167 /nfs/dbraw/zinc/98/61/67/1133986167.db2.gz BVKXPEVWCIJEGJ-UHFFFAOYSA-N 2 0 276.468 3.683 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141899 1135199732 /nfs/dbraw/zinc/19/97/32/1135199732.db2.gz SDQBASWZHZIJNF-GOSISDBHSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309764 1135223275 /nfs/dbraw/zinc/22/32/75/1135223275.db2.gz RFJQSICJHTZYAL-QGZVFWFLSA-N 2 0 266.473 3.955 20 30 CHEDRP C=CCCCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595587 1135254557 /nfs/dbraw/zinc/25/45/57/1135254557.db2.gz DLYZPTQVWXGERF-IBGZPJMESA-N 2 0 298.474 3.812 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449479804 260636889 /nfs/dbraw/zinc/63/68/89/260636889.db2.gz WGMLAZATDBOYBA-KRWDZBQOSA-N 2 0 286.463 3.638 20 30 CHEDRP CC(C)[NH+]1CCC([N@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000336828041 262398506 /nfs/dbraw/zinc/39/85/06/262398506.db2.gz RLGMOALTHIUBBS-UHFFFAOYSA-N 2 0 279.472 3.511 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339082047 262595116 /nfs/dbraw/zinc/59/51/16/262595116.db2.gz PAZRPMMYTLZJNC-MSOLQXFVSA-N 2 0 291.483 3.513 20 30 CHEDRP C[C@H](CCC#N)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276319291 263036130 /nfs/dbraw/zinc/03/61/30/263036130.db2.gz OKEYPWGJCATRIB-QGZVFWFLSA-N 2 0 299.462 3.523 20 30 CHEDRP C=CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000415010208 263241831 /nfs/dbraw/zinc/24/18/31/263241831.db2.gz GBQNPJVRPNTNHU-CYBMUJFWSA-N 2 0 296.842 3.512 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000177583116 329187979 /nfs/dbraw/zinc/18/79/79/329187979.db2.gz SXYATATWCZEOPR-UHFFFAOYSA-N 2 0 291.483 3.703 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+](CCCCC#N)CC1 ZINC000182759980 329244629 /nfs/dbraw/zinc/24/46/29/329244629.db2.gz NRQBTFYYNWGDMF-UHFFFAOYSA-N 2 0 279.472 3.514 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275615113 330110665 /nfs/dbraw/zinc/11/06/65/330110665.db2.gz RKQXEPVXPUTXRK-IEBWSBKVSA-N 2 0 284.447 3.563 20 30 CHEDRP CC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)cc1 ZINC000423199889 330176464 /nfs/dbraw/zinc/17/64/64/330176464.db2.gz LEWCKMRXXRQEHR-QGZVFWFLSA-N 2 0 285.435 3.651 20 30 CHEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423291799 330187532 /nfs/dbraw/zinc/18/75/32/330187532.db2.gz JWKYOFUXPWRCOR-OLZOCXBDSA-N 2 0 297.377 3.568 20 30 CHEDRP CC1(C#N)CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423499478 330208179 /nfs/dbraw/zinc/20/81/79/330208179.db2.gz BAKUICGGAVWJID-ADKAHSJRSA-N 2 0 285.435 3.529 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000121195286 330397534 /nfs/dbraw/zinc/39/75/34/330397534.db2.gz STTVJHZHDSNHND-GOSISDBHSA-N 2 0 290.426 3.722 20 30 CHEDRP C=C(CC)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453384278 331126332 /nfs/dbraw/zinc/12/63/32/331126332.db2.gz ZNGFNWVZVSZKKV-LDLYASANSA-N 2 0 284.447 3.738 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459659154 331292714 /nfs/dbraw/zinc/29/27/14/331292714.db2.gz LXXIOJDLJJQPEJ-OAHLLOKOSA-N 2 0 257.381 3.559 20 30 CHEDRP C=CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000488467083 332011939 /nfs/dbraw/zinc/01/19/39/332011939.db2.gz QOSQBMLUCWKLLZ-HOTGVXAUSA-N 2 0 252.446 3.537 20 30 CHEDRP CC(C)[NH+](CC#CC[N@@H+](C(C)C)C1CCC1)C1CCC1 ZINC000551395912 334249127 /nfs/dbraw/zinc/24/91/27/334249127.db2.gz WBGBMEAWQRYIMS-UHFFFAOYSA-N 2 0 276.468 3.516 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353415622 528115800 /nfs/dbraw/zinc/11/58/00/528115800.db2.gz VZXCHWAIPDPPGA-DNVCBOLYSA-N 2 0 299.462 3.646 20 30 CHEDRP CCCCCCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201840148 1123155141 /nfs/dbraw/zinc/15/51/41/1123155141.db2.gz NKQDPATXZPOBLD-CALCHBBNSA-N 2 0 266.473 3.621 20 30 CHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248730610 1125674767 /nfs/dbraw/zinc/67/47/67/1125674767.db2.gz DEEFBHLKGGPTAU-APWZRJJASA-N 2 0 299.462 3.699 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181511549 1126857052 /nfs/dbraw/zinc/85/70/52/1126857052.db2.gz JHXGMLREGDUDCP-SJORKVTESA-N 2 0 299.462 3.721 20 30 CHEDRP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827428 1126903375 /nfs/dbraw/zinc/90/33/75/1126903375.db2.gz AUCZOFNQWWTKMJ-XYJFISCASA-N 2 0 299.462 3.788 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000573235142 1127304669 /nfs/dbraw/zinc/30/46/69/1127304669.db2.gz MAYBCYNEWZTZDA-BBWFWOEESA-N 2 0 258.409 3.553 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000595053157 1127451141 /nfs/dbraw/zinc/45/11/41/1127451141.db2.gz WEIHYPSZXYRVMX-JKSUJKDBSA-N 2 0 296.524 3.538 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000467415259 1127968000 /nfs/dbraw/zinc/96/80/00/1127968000.db2.gz YHMHMRYUFYBEJY-IYWMVGAKSA-N 2 0 298.474 3.841 20 30 CHEDRP C[N@H+](CCCCC1(C#N)CCC1)CC[C@@H]1CCCC[NH+]1C ZINC000929722339 1128054472 /nfs/dbraw/zinc/05/44/72/1128054472.db2.gz MFDNGJWGEJPOAI-KRWDZBQOSA-N 2 0 291.483 3.657 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038979 1128211027 /nfs/dbraw/zinc/21/10/27/1128211027.db2.gz QVAKPOTXPNHAPZ-KLAILNCOSA-N 2 0 264.457 3.728 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779756 1128286913 /nfs/dbraw/zinc/28/69/13/1128286913.db2.gz IJTQFSTXHDRZSE-SJORKVTESA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235893655 1128383046 /nfs/dbraw/zinc/38/30/46/1128383046.db2.gz YEPLBGIILYHAPP-JKSUJKDBSA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000571748421 1128638425 /nfs/dbraw/zinc/63/84/25/1128638425.db2.gz QFRXXCHGEGGGJZ-UHFFFAOYSA-N 2 0 276.468 3.587 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001258049170 1128688562 /nfs/dbraw/zinc/68/85/62/1128688562.db2.gz AQQXQNCRPNLGEF-YESZJQIVSA-N 2 0 266.473 3.761 20 30 CHEDRP C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668367 1118063461 /nfs/dbraw/zinc/06/34/61/1118063461.db2.gz NNQWAWRJRPOFMH-HZPDHXFCSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209445668 1118063490 /nfs/dbraw/zinc/06/34/90/1118063490.db2.gz MECJYWUUMHHLLO-QZTJIDSGSA-N 2 0 278.484 3.787 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403300833 1118707886 /nfs/dbraw/zinc/70/78/86/1118707886.db2.gz ZENGQTYTHSHESN-CQSZACIVSA-N 2 0 276.415 3.653 20 30 CHEDRP CCCCCCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129312155 1118785023 /nfs/dbraw/zinc/78/50/23/1118785023.db2.gz ZDDUIXAYBKPNGQ-MRXNPFEDSA-N 2 0 254.462 3.859 20 30 CHEDRP C=CCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000657567540 1119187794 /nfs/dbraw/zinc/18/77/94/1119187794.db2.gz SSBONHVCLLKHIO-SJORKVTESA-N 2 0 276.468 3.729 20 30 CHEDRP C=C(CC)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001167658048 1119311443 /nfs/dbraw/zinc/31/14/43/1119311443.db2.gz BKARLRVDFRVESH-QGZVFWFLSA-N 2 0 278.484 3.929 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000657908925 1119627267 /nfs/dbraw/zinc/62/72/67/1119627267.db2.gz NBHWTYUOCDWFIT-RDJZCZTQSA-N 2 0 278.484 3.974 20 30 CHEDRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443392 1120530032 /nfs/dbraw/zinc/53/00/32/1120530032.db2.gz SIYVRLCWNBLQMV-RHSMWYFYSA-N 2 0 287.451 3.575 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651748768 1120735012 /nfs/dbraw/zinc/73/50/12/1120735012.db2.gz XNQMKVHNEPFQLT-AEFFLSMTSA-N 2 0 299.462 3.632 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651748771 1120735045 /nfs/dbraw/zinc/73/50/45/1120735045.db2.gz XNQMKVHNEPFQLT-WMZOPIPTSA-N 2 0 299.462 3.632 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000651817254 1120753586 /nfs/dbraw/zinc/75/35/86/1120753586.db2.gz FMEHTHZQLNTVSU-DLBZAZTESA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764410 1120926151 /nfs/dbraw/zinc/92/61/51/1120926151.db2.gz HDYLAVVBQGMCQA-SZMVWBNQSA-N 2 0 272.436 3.672 20 30 CHEDRP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420296379 1121994780 /nfs/dbraw/zinc/99/47/80/1121994780.db2.gz BQPFCLKHMAAMFD-ZDUSSCGKSA-N 2 0 298.883 3.779 20 30 CHEDRP C=CCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696204 1122483401 /nfs/dbraw/zinc/48/34/01/1122483401.db2.gz UMYGNMYWSSVFJA-MRXNPFEDSA-N 2 0 290.476 3.658 20 30 CHEDRP C=CCCCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205605285 1122656859 /nfs/dbraw/zinc/65/68/59/1122656859.db2.gz ZSHXCBBIDVFHEA-SJORKVTESA-N 2 0 266.473 3.820 20 30 CHEDRP C#CCCCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168035328 1123533311 /nfs/dbraw/zinc/53/33/11/1123533311.db2.gz SFRHDJDMXMTQQW-QZTJIDSGSA-N 2 0 298.474 3.821 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000453302760 1123570278 /nfs/dbraw/zinc/57/02/78/1123570278.db2.gz AVGVFZMRAXAJIB-SJORKVTESA-N 2 0 272.436 3.624 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517391 1124077250 /nfs/dbraw/zinc/07/72/50/1124077250.db2.gz XOFMWJYKOMCREA-FHERZECASA-N 2 0 252.446 3.584 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000866515812 1124077356 /nfs/dbraw/zinc/07/73/56/1124077356.db2.gz JBGLPBJLYTXBSR-AQFXKWCLSA-N 2 0 264.457 3.584 20 30 CHEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019545 1131274742 /nfs/dbraw/zinc/27/47/42/1131274742.db2.gz FVRXWRZBTFKHCQ-QZTJIDSGSA-N 2 0 298.515 3.549 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449297347 1124685521 /nfs/dbraw/zinc/68/55/21/1124685521.db2.gz FXQKEPBAFKBJGK-KLAILNCOSA-N 2 0 264.457 3.728 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449471325 1124750518 /nfs/dbraw/zinc/75/05/18/1124750518.db2.gz CBVATTFHMOUHLR-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CC[NH2+]C1 ZINC001246110259 1131329760 /nfs/dbraw/zinc/32/97/60/1131329760.db2.gz HXCCPAOMAICWRQ-HOTGVXAUSA-N 2 0 254.462 3.715 20 30 CHEDRP C=CCC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639306475 1129301908 /nfs/dbraw/zinc/30/19/08/1129301908.db2.gz DOGOTHKTTBEDTL-WMZOPIPTSA-N 2 0 270.420 3.520 20 30 CHEDRP CCCCCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000740875453 1129421750 /nfs/dbraw/zinc/42/17/50/1129421750.db2.gz AUXCBANBJIYCIY-UHFFFAOYSA-N 2 0 254.462 3.761 20 30 CHEDRP CCCCCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000741796223 1129453730 /nfs/dbraw/zinc/45/37/30/1129453730.db2.gz CQPOUXLCQQFKBY-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001258719874 1129547395 /nfs/dbraw/zinc/54/73/95/1129547395.db2.gz LSQHYVJKKABIPG-MRXNPFEDSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258728787 1129587866 /nfs/dbraw/zinc/58/78/66/1129587866.db2.gz QEXCLROLAHEYHS-INIZCTEOSA-N 2 0 276.468 3.682 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000103028042 1129684269 /nfs/dbraw/zinc/68/42/69/1129684269.db2.gz NQTULGVNJSFIGW-HZPDHXFCSA-N 2 0 266.473 3.809 20 30 CHEDRP CCCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979870 1130700709 /nfs/dbraw/zinc/70/07/09/1130700709.db2.gz SSOTZKPVFNMVMC-CALCHBBNSA-N 2 0 266.473 3.668 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235089222 1130709345 /nfs/dbraw/zinc/70/93/45/1130709345.db2.gz MNXWSGYNKZDVAM-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235336398 1130734235 /nfs/dbraw/zinc/73/42/35/1130734235.db2.gz XIADYKGHROWBGV-UHFFFAOYSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399383 1130739510 /nfs/dbraw/zinc/73/95/10/1130739510.db2.gz AWHNOLLCHACELK-QZTJIDSGSA-N 2 0 296.474 3.927 20 30 CHEDRP N#CCC[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235662856 1130762187 /nfs/dbraw/zinc/76/21/87/1130762187.db2.gz AMRZGLGMVVSRLJ-QGZVFWFLSA-N 2 0 291.483 3.705 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235702406 1130769667 /nfs/dbraw/zinc/76/96/67/1130769667.db2.gz JWTCPOUCJKNKRE-UHFFFAOYSA-N 2 0 280.415 3.724 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC([NH2+]CC)CC1 ZINC001235726512 1130774189 /nfs/dbraw/zinc/77/41/89/1130774189.db2.gz REOMIMRYYQCVSE-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP CCCCCCCCCC[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946695 1130812435 /nfs/dbraw/zinc/81/24/35/1130812435.db2.gz POCKPLFLGWJIGI-UHFFFAOYSA-N 2 0 298.515 3.828 20 30 CHEDRP Cc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1C#N ZINC001236550126 1130973415 /nfs/dbraw/zinc/97/34/15/1130973415.db2.gz GYDOLFWSKIIUFU-WGSAOQKQSA-N 2 0 299.462 3.595 20 30 CHEDRP C=CCCCC[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567390 1130976488 /nfs/dbraw/zinc/97/64/88/1130976488.db2.gz UTOZIMKRUXKMRD-JCNLHEQBSA-N 2 0 264.457 3.857 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236603700 1130981885 /nfs/dbraw/zinc/98/18/85/1130981885.db2.gz CPRLNLPXDNYHLQ-MRXNPFEDSA-N 2 0 252.446 3.574 20 30 CHEDRP CC(C)(C)C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768797 1131005532 /nfs/dbraw/zinc/00/55/32/1131005532.db2.gz PRSLMCOOYISKMK-IYARVYRRSA-N 2 0 299.462 3.676 20 30 CHEDRP CCC(CC)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781884 1131006293 /nfs/dbraw/zinc/00/62/93/1131006293.db2.gz AMPVGQBRKUNPLC-UAPYVXQJSA-N 2 0 299.462 3.819 20 30 CHEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000815651722 1131018539 /nfs/dbraw/zinc/01/85/39/1131018539.db2.gz BFRWZUWXPFEFHQ-MRXNPFEDSA-N 2 0 296.414 3.552 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccco1 ZINC000817949751 1131189504 /nfs/dbraw/zinc/18/95/04/1131189504.db2.gz UUOGEUOEZUTYEB-QGZVFWFLSA-N 2 0 284.403 3.578 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985323 1131195314 /nfs/dbraw/zinc/19/53/14/1131195314.db2.gz IYTISYMRUIAFJR-CVEARBPZSA-N 2 0 264.457 3.776 20 30 CHEDRP CCCCCCCCCC[N@H+](C)[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246938886 1131823229 /nfs/dbraw/zinc/82/32/29/1131823229.db2.gz OTZQNGRRPHWQMN-QGZVFWFLSA-N 2 0 296.499 3.580 20 30 CHEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062540 1132125185 /nfs/dbraw/zinc/12/51/85/1132125185.db2.gz PCJLVEZSCZYMQA-LDLYASANSA-N 2 0 284.447 3.738 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172345789 1132180754 /nfs/dbraw/zinc/18/07/54/1132180754.db2.gz COANLEKBDTTXJV-HOTGVXAUSA-N 2 0 254.462 3.667 20 30 CHEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172479126 1132227338 /nfs/dbraw/zinc/22/73/38/1132227338.db2.gz JSBHGRVHXOCACV-ZIFCJYIRSA-N 2 0 299.462 3.711 20 30 CHEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC001172487101 1132234880 /nfs/dbraw/zinc/23/48/80/1132234880.db2.gz JQMMMMZNGOTQJH-INIZCTEOSA-N 2 0 291.483 3.561 20 30 CHEDRP CCCCCCC[C@H](CCC)[NH2+]CCSCC[NH3+] ZINC001172509539 1132256996 /nfs/dbraw/zinc/25/69/96/1132256996.db2.gz YWUOLHJKBXZOKR-HNNXBMFYSA-N 2 0 274.518 3.797 20 30 CHEDRP CC[NH+](CC)C1CCC([NH2+]CCCCCCS)CC1 ZINC001173111184 1132394950 /nfs/dbraw/zinc/39/49/50/1132394950.db2.gz YREWSUIVHUBLTP-UHFFFAOYSA-N 2 0 286.529 3.719 20 30 CHEDRP CC1(C)C[C@@H]([NH2+]C2CCC(CC#N)CC2)C[C@](C)(C[NH3+])C1 ZINC001173329831 1132463780 /nfs/dbraw/zinc/46/37/80/1132463780.db2.gz OBIKDSXFCRODQS-IOTAOYMUSA-N 2 0 291.483 3.592 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CC(C)(C[NH3+])C1 ZINC001206712207 1133262535 /nfs/dbraw/zinc/26/25/35/1133262535.db2.gz WTKJGZSYYBZEKU-UHFFFAOYSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296417 1133685391 /nfs/dbraw/zinc/68/53/91/1133685391.db2.gz SPEQLPUIRACOSI-MRXNPFEDSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606283 1133726975 /nfs/dbraw/zinc/72/69/75/1133726975.db2.gz JBRHECFOAICFCJ-KRWDZBQOSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCC[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207484687 1133806610 /nfs/dbraw/zinc/80/66/10/1133806610.db2.gz RJNTUYUPGMUHGJ-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001208120162 1133880588 /nfs/dbraw/zinc/88/05/88/1133880588.db2.gz LZXBNKSEWXMDPK-UIVAWZFMSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209201022 1133986511 /nfs/dbraw/zinc/98/65/11/1133986511.db2.gz TUDCUUFTDXWLTF-PMACEKPBSA-N 2 0 298.474 3.715 20 30 CHEDRP C=CCCCC[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001209204645 1133987891 /nfs/dbraw/zinc/98/78/91/1133987891.db2.gz GSYBRPADCJDNDB-UHFFFAOYSA-N 2 0 298.474 3.865 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238027 1135212602 /nfs/dbraw/zinc/21/26/02/1135212602.db2.gz YREBZDYCQPLYRN-QGZVFWFLSA-N 2 0 264.457 3.731 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037200927 260074073 /nfs/dbraw/zinc/07/40/73/260074073.db2.gz IXRXYKMDCFFOOI-HOTGVXAUSA-N 2 0 287.451 3.719 20 30 CHEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000093515134 260290124 /nfs/dbraw/zinc/29/01/24/260290124.db2.gz XCXIKWQMLZFANS-RVKKMQEKSA-N 2 0 285.435 3.520 20 30 CHEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000093515132 260290437 /nfs/dbraw/zinc/29/04/37/260290437.db2.gz XCXIKWQMLZFANS-VKJFTORMSA-N 2 0 285.435 3.520 20 30 CHEDRP CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000365442363 262365387 /nfs/dbraw/zinc/36/53/87/262365387.db2.gz JQLJGUPBXJWZCZ-QGZVFWFLSA-N 2 0 291.483 3.657 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411501145 262696280 /nfs/dbraw/zinc/69/62/80/262696280.db2.gz HLCGFSWWPSXSRI-INIZCTEOSA-N 2 0 279.472 3.513 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccco1 ZINC000285917935 264565196 /nfs/dbraw/zinc/56/51/96/264565196.db2.gz CGSYMGIEPFAMKS-OAHLLOKOSA-N 2 0 276.424 3.608 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185762058 327844608 /nfs/dbraw/zinc/84/46/08/327844608.db2.gz QSJRXHHXYAJMOK-LPHOPBHVSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000582610468 329116385 /nfs/dbraw/zinc/11/63/85/329116385.db2.gz XRXDXZWPYSQNIL-INIZCTEOSA-N 2 0 292.492 3.776 20 30 CHEDRP C=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034652 330166464 /nfs/dbraw/zinc/16/64/64/330166464.db2.gz XVOQDJGUCWSKAJ-GBESFXJTSA-N 2 0 284.447 3.600 20 30 CHEDRP CC1(C#N)CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423499480 330208069 /nfs/dbraw/zinc/20/80/69/330208069.db2.gz BAKUICGGAVWJID-LXPRWKDFSA-N 2 0 285.435 3.529 20 30 CHEDRP C=CC(C)(C)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000527734807 330278561 /nfs/dbraw/zinc/27/85/61/330278561.db2.gz JRTUJLUZGYHZNR-UHFFFAOYSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000537046891 330394364 /nfs/dbraw/zinc/39/43/64/330394364.db2.gz PUXDXDSRCAILPO-IRXDYDNUSA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000459579764 331289131 /nfs/dbraw/zinc/28/91/31/331289131.db2.gz ZJSHRPXQDIWJMW-UHFFFAOYSA-N 2 0 299.462 3.777 20 30 CHEDRP C=CCN1CCC([NH2+][C@H](CC)C2CCCCC2)CC1 ZINC000177913977 333065422 /nfs/dbraw/zinc/06/54/22/333065422.db2.gz UXAVWYGRXODZNF-QGZVFWFLSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245870473 334222150 /nfs/dbraw/zinc/22/21/50/334222150.db2.gz JHXGMLREGDUDCP-IAGOWNOFSA-N 2 0 299.462 3.721 20 30 CHEDRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(C#N)cc1 ZINC000278173397 522563988 /nfs/dbraw/zinc/56/39/88/522563988.db2.gz CPYHQSJSWKFNKR-IBGZPJMESA-N 2 0 299.462 3.719 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353415623 528118993 /nfs/dbraw/zinc/11/89/93/528118993.db2.gz VZXCHWAIPDPPGA-HNAYVOBHSA-N 2 0 299.462 3.646 20 30 CHEDRP CC(C)[NH+](CCC[NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000449181128 1124666233 /nfs/dbraw/zinc/66/62/33/1124666233.db2.gz FCWWYIPDIZBWDE-UHFFFAOYSA-N 2 0 279.472 3.557 20 30 CHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248745114 1125674671 /nfs/dbraw/zinc/67/46/71/1125674671.db2.gz FLFUXNRGJRKBRA-APWZRJJASA-N 2 0 299.462 3.699 20 30 CHEDRP C=CCCCC[N@@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001278269348 1131234573 /nfs/dbraw/zinc/23/45/73/1131234573.db2.gz DACIKZXKCIEUPD-UHFFFAOYSA-N 2 0 298.474 3.822 20 30 CHEDRP C=CCCCC[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001278270141 1131236000 /nfs/dbraw/zinc/23/60/00/1131236000.db2.gz GNERCRKIULXPEI-HDICACEKSA-N 2 0 290.495 3.929 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159626323 1126748585 /nfs/dbraw/zinc/74/85/85/1126748585.db2.gz OHUYSMCCSXCQLZ-ZDUSSCGKSA-N 2 0 252.446 3.630 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168388111 1127216783 /nfs/dbraw/zinc/21/67/83/1127216783.db2.gz ASAHWFUJICXSPG-UHFFFAOYSA-N 2 0 298.474 3.939 20 30 CHEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591571004 1127309328 /nfs/dbraw/zinc/30/93/28/1127309328.db2.gz SKQZWQHEPXDANV-IIDMSEBBSA-N 2 0 285.435 3.520 20 30 CHEDRP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(C#N)cc1 ZINC000593323094 1127537887 /nfs/dbraw/zinc/53/78/87/1127537887.db2.gz PLJDLARQCQPYIH-IBGZPJMESA-N 2 0 293.414 3.519 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000602514247 1127589753 /nfs/dbraw/zinc/58/97/53/1127589753.db2.gz RUBIKULJEICKIO-QGZVFWFLSA-N 2 0 299.462 3.702 20 30 CHEDRP CC(C)[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCCC1 ZINC000602512523 1127590113 /nfs/dbraw/zinc/59/01/13/1127590113.db2.gz WIJBIESOVGMGQB-DAWZGUTISA-N 2 0 291.483 3.559 20 30 CHEDRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602591276 1127595225 /nfs/dbraw/zinc/59/52/25/1127595225.db2.gz FYKZSAQVHHYDMO-INIZCTEOSA-N 2 0 287.451 3.556 20 30 CHEDRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980672 1127649260 /nfs/dbraw/zinc/64/92/60/1127649260.db2.gz NQTNIZGWBQZRHY-QZTJIDSGSA-N 2 0 299.462 3.884 20 30 CHEDRP C[NH+](C)CCC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411193248 1127846306 /nfs/dbraw/zinc/84/63/06/1127846306.db2.gz SMOUHCOLDSCSDJ-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540147722 1127962715 /nfs/dbraw/zinc/96/27/15/1127962715.db2.gz PWPVSUASAPKXII-WMZOPIPTSA-N 2 0 278.484 3.689 20 30 CHEDRP CCCCCCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172355 1128311936 /nfs/dbraw/zinc/31/19/36/1128311936.db2.gz MATRZARJJNZMJS-INIZCTEOSA-N 2 0 252.446 3.565 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929407 1128395748 /nfs/dbraw/zinc/39/57/48/1128395748.db2.gz NZRZSVOXZAWTKU-QZTJIDSGSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCCCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000573934171 1128659868 /nfs/dbraw/zinc/65/98/68/1128659868.db2.gz QQCICRPBQRHBGW-UHFFFAOYSA-N 2 0 264.457 3.729 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001258039861 1128676122 /nfs/dbraw/zinc/67/61/22/1128676122.db2.gz ZYIFLTRSHCGELB-INIZCTEOSA-N 2 0 266.473 3.811 20 30 CHEDRP C=CC[N@H+](CCC[NH+]1CCCCC1)C1CCCCC1 ZINC001209453390 1118064791 /nfs/dbraw/zinc/06/47/91/1118064791.db2.gz HERLLTREXLWLCN-UHFFFAOYSA-N 2 0 264.457 3.683 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000657993890 1119662477 /nfs/dbraw/zinc/66/24/77/1119662477.db2.gz MQPIVQNESBBXEQ-AEFFLSMTSA-N 2 0 276.468 3.585 20 30 CHEDRP CCCCCCCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708853187 1119986354 /nfs/dbraw/zinc/98/63/54/1119986354.db2.gz PGAIMVGAJSVBAE-JKSUJKDBSA-N 2 0 254.462 3.654 20 30 CHEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926840187 1120129629 /nfs/dbraw/zinc/12/96/29/1120129629.db2.gz PMYDLLDEYPPEPE-BXWFABGCSA-N 2 0 284.447 3.591 20 30 CHEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000925616282 1120471140 /nfs/dbraw/zinc/47/11/40/1120471140.db2.gz LTEUSLVUULSFGB-BRWVUGGUSA-N 2 0 285.435 3.527 20 30 CHEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCC[NH+](CCC(=C)C)CC1 ZINC000508975770 1120566624 /nfs/dbraw/zinc/56/66/24/1120566624.db2.gz HAQSIKDHUDBDAU-QGZVFWFLSA-N 2 0 264.457 3.705 20 30 CHEDRP CCC1([NH3+])CC[NH+]([C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000925756872 1120902276 /nfs/dbraw/zinc/90/22/76/1120902276.db2.gz BIKOAARPFBXBJL-SFHVURJKSA-N 2 0 297.446 3.529 20 30 CHEDRP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658115308 1121166300 /nfs/dbraw/zinc/16/63/00/1121166300.db2.gz UNORCKRFVXTOBE-IPMKNSEASA-N 2 0 284.447 3.595 20 30 CHEDRP C=CCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512237750 1121218925 /nfs/dbraw/zinc/21/89/25/1121218925.db2.gz VQTLTSDXUQCWIU-IBGZPJMESA-N 2 0 284.447 3.551 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411393446 1121576755 /nfs/dbraw/zinc/57/67/55/1121576755.db2.gz SRKBMOIIDUXUAR-DLBZAZTESA-N 2 0 291.483 3.513 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295688 1121716317 /nfs/dbraw/zinc/71/63/17/1121716317.db2.gz MYMMMEFOQRSDPS-MRXNPFEDSA-N 2 0 254.462 3.798 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295686 1121716675 /nfs/dbraw/zinc/71/66/75/1121716675.db2.gz MYMMMEFOQRSDPS-INIZCTEOSA-N 2 0 254.462 3.798 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H](CC)C[C@@H](C)CC)CC1 ZINC000153016924 1129015932 /nfs/dbraw/zinc/01/59/32/1129015932.db2.gz JZQZCNNWUKJBBG-HOTGVXAUSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001194204032 1122758336 /nfs/dbraw/zinc/75/83/36/1122758336.db2.gz LHLMYTZVUQPFQQ-UHFFFAOYSA-N 2 0 295.430 3.713 20 30 CHEDRP C=CCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000850503027 1123276268 /nfs/dbraw/zinc/27/62/68/1123276268.db2.gz ZZINAXQZEJVMHZ-HNNXBMFYSA-N 2 0 290.451 3.764 20 30 CHEDRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000895554216 1123491213 /nfs/dbraw/zinc/49/12/13/1123491213.db2.gz SVLFTFIPLUBUQO-QGZVFWFLSA-N 2 0 291.483 3.657 20 30 CHEDRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1C#N ZINC000444004398 1123720684 /nfs/dbraw/zinc/72/06/84/1123720684.db2.gz XNTNTGAZFUYRBL-UHFFFAOYSA-N 2 0 299.462 3.613 20 30 CHEDRP C=CC[NH+]1CCC(Nc2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302074570 1123954204 /nfs/dbraw/zinc/95/42/04/1123954204.db2.gz IITKCRSEZNBFSZ-UHFFFAOYSA-N 2 0 295.430 3.914 20 30 CHEDRP CCCCCCCCCC[C@H](O)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC001245990972 1131265053 /nfs/dbraw/zinc/26/50/53/1131265053.db2.gz ADHIXNPPOLCDJM-MSOLQXFVSA-N 2 0 298.515 3.610 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246096744 1131309191 /nfs/dbraw/zinc/30/91/91/1131309191.db2.gz WDKNRQFLPJUCDT-CVEARBPZSA-N 2 0 254.462 3.715 20 30 CHEDRP C=CCC[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718129 1125067768 /nfs/dbraw/zinc/06/77/68/1125067768.db2.gz FQKNRYKUNQRCIF-KRWDZBQOSA-N 2 0 286.463 3.594 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129474 1131344026 /nfs/dbraw/zinc/34/40/26/1131344026.db2.gz FBIHHKGCFLEYBA-DLBZAZTESA-N 2 0 296.499 3.626 20 30 CHEDRP C=CCCCC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568994 1125280661 /nfs/dbraw/zinc/28/06/61/1125280661.db2.gz GIAZIZMNSCUFMP-KRWDZBQOSA-N 2 0 269.392 3.570 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246134744 1131344657 /nfs/dbraw/zinc/34/46/57/1131344657.db2.gz NCVNIIOTKRZZBO-SJORKVTESA-N 2 0 296.499 3.626 20 30 CHEDRP C=C[C@H](C)[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638750444 1129268070 /nfs/dbraw/zinc/26/80/70/1129268070.db2.gz ULOPABPTQPXRSV-LESCRADOSA-N 2 0 270.420 3.519 20 30 CHEDRP CCCCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250807508 1129498520 /nfs/dbraw/zinc/49/85/20/1129498520.db2.gz GFDGWSHEZHJANM-IRXDYDNUSA-N 2 0 266.473 3.953 20 30 CHEDRP CCCCCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139051 1129702406 /nfs/dbraw/zinc/70/24/06/1129702406.db2.gz LXIFHTCFVVRNBX-FVQHAEBGSA-N 2 0 266.473 3.904 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCCC)CC2)C1 ZINC000651689424 1129744159 /nfs/dbraw/zinc/74/41/59/1129744159.db2.gz UIHSQPWBNZIVJO-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC001246213260 1131403153 /nfs/dbraw/zinc/40/31/53/1131403153.db2.gz UJPJKGOGXSMRJN-OAHLLOKOSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001246216852 1131405325 /nfs/dbraw/zinc/40/53/25/1131405325.db2.gz QADMSULGEQWGBT-JKSUJKDBSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246222696 1131411317 /nfs/dbraw/zinc/41/13/17/1131411317.db2.gz NWQQUSKHOMMSKH-VQHPVUNQSA-N 2 0 266.473 3.856 20 30 CHEDRP C=CCCCCCCCCCN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073663 1130708213 /nfs/dbraw/zinc/70/82/13/1130708213.db2.gz UOXRLWICBJPRET-IAGOWNOFSA-N 2 0 264.457 3.729 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394235 1130739107 /nfs/dbraw/zinc/73/91/07/1130739107.db2.gz CONCELJABRLPHV-PIIXRYACSA-N 2 0 296.474 3.912 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001235748653 1130777437 /nfs/dbraw/zinc/77/74/37/1130777437.db2.gz DDGGTOKJGCZDBQ-INIZCTEOSA-N 2 0 252.446 3.574 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950886 1130814057 /nfs/dbraw/zinc/81/40/57/1130814057.db2.gz OMMQHZYZBKUKFL-OAGJVSPASA-N 2 0 266.473 3.835 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009910 1130832158 /nfs/dbraw/zinc/83/21/58/1130832158.db2.gz ZIWACSQCSALZRH-CMDGGOBGSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584535 1130980652 /nfs/dbraw/zinc/98/06/52/1130980652.db2.gz JHCBPCCVVHJVOB-QGZVFWFLSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236603927 1130982661 /nfs/dbraw/zinc/98/26/61/1130982661.db2.gz FHBKJSLZSBYKHT-SCOAYWHSSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000817893251 1131187051 /nfs/dbraw/zinc/18/70/51/1131187051.db2.gz DAFZCKKIMZZJKW-NXHRZFHOSA-N 2 0 287.451 3.599 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[C@@](C)([NH3+])C1 ZINC001246461291 1131510509 /nfs/dbraw/zinc/51/05/09/1131510509.db2.gz OPNGVYDHLGSKNW-OAGGEKHMSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535475 1131573691 /nfs/dbraw/zinc/57/36/91/1131573691.db2.gz MHDLDFIYOQBLJF-IRXDYDNUSA-N 2 0 284.488 3.565 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846227467 1131701906 /nfs/dbraw/zinc/70/19/06/1131701906.db2.gz RRTQREVVJLLCNO-KZNAEPCWSA-N 2 0 296.499 3.708 20 30 CHEDRP CCCCCCC[C@H](CC)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001246607030 1131714593 /nfs/dbraw/zinc/71/45/93/1131714593.db2.gz ZQASGRQXNGZAEB-KRWDZBQOSA-N 2 0 296.499 3.580 20 30 CHEDRP CCCCCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000772948012 1131718525 /nfs/dbraw/zinc/71/85/25/1131718525.db2.gz DHVCHRFBBCZGDN-CVEARBPZSA-N 2 0 254.462 3.667 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716718470 1132030436 /nfs/dbraw/zinc/03/04/36/1132030436.db2.gz ONHYGIVJFIOLQE-BVBHFADKSA-N 2 0 284.447 3.594 20 30 CHEDRP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971516 1132118210 /nfs/dbraw/zinc/11/82/10/1132118210.db2.gz IZAZMUXKWGCODG-KRWDZBQOSA-N 2 0 272.436 3.595 20 30 CHEDRP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984277 1132120150 /nfs/dbraw/zinc/12/01/50/1132120150.db2.gz UKQKJQILEWEATE-GOSISDBHSA-N 2 0 286.463 3.985 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493822 1132248995 /nfs/dbraw/zinc/24/89/95/1132248995.db2.gz WBDPVONRYGMOIF-ZOBUZTSGSA-N 2 0 277.456 3.583 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+]CCSCC[NH3+] ZINC001172503200 1132252567 /nfs/dbraw/zinc/25/25/67/1132252567.db2.gz PNUPLUVSVLNSLI-OAHLLOKOSA-N 2 0 274.518 3.797 20 30 CHEDRP CC[NH+](CC)C1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001173113214 1132394921 /nfs/dbraw/zinc/39/49/21/1132394921.db2.gz HWZRCBMPMLBHMP-UHFFFAOYSA-N 2 0 299.462 3.643 20 30 CHEDRP CC(C)[NH+]1CCC(C[N@H+](C)C2CCC(CC#N)CC2)CC1 ZINC001173335592 1132465005 /nfs/dbraw/zinc/46/50/05/1132465005.db2.gz RSKFVKQEMPLCRP-UHFFFAOYSA-N 2 0 291.483 3.511 20 30 CHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173593469 1132498762 /nfs/dbraw/zinc/49/87/62/1132498762.db2.gz PIKTXENMSIQJBX-OBMPSLJJSA-N 2 0 291.483 3.701 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094172 1133527535 /nfs/dbraw/zinc/52/75/35/1133527535.db2.gz JWOYVUJWOATDPV-FDMDGMSGSA-N 2 0 252.446 3.716 20 30 CHEDRP C=CCCCCCCC[N@@H+](CC)C1CCN(C)CC1 ZINC001209438159 1134019485 /nfs/dbraw/zinc/01/94/85/1134019485.db2.gz AJXDVFYMCGUOCN-UHFFFAOYSA-N 2 0 266.473 3.929 20 30 CHEDRP C=CCC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000341931397 263368908 /nfs/dbraw/zinc/36/89/08/263368908.db2.gz OPKKNOCOXIZXHB-SFHVURJKSA-N 2 0 272.436 3.769 20 30 CHEDRP C=CCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534964219 328372124 /nfs/dbraw/zinc/37/21/24/328372124.db2.gz WJIHQFOMJKMGFJ-UHFFFAOYSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000561620953 327405625 /nfs/dbraw/zinc/40/56/25/327405625.db2.gz LROYSBAPNIBXHD-INIZCTEOSA-N 2 0 266.473 3.831 20 30 CHEDRP C=C(Cl)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000271462191 330080165 /nfs/dbraw/zinc/08/01/65/330080165.db2.gz HTZYJVWHPOOSTO-LBPRGKRZSA-N 2 0 275.783 3.584 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422997578 330163395 /nfs/dbraw/zinc/16/33/95/330163395.db2.gz OKZSOPOLADTYON-VJFUWPCTSA-N 2 0 272.436 3.801 20 30 CHEDRP C=CCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000423162560 330173858 /nfs/dbraw/zinc/17/38/58/330173858.db2.gz PWPSHCLPCAYQJD-AEFFLSMTSA-N 2 0 286.463 3.671 20 30 CHEDRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)c(F)c1 ZINC000423291800 330187335 /nfs/dbraw/zinc/18/73/35/330187335.db2.gz JWKYOFUXPWRCOR-QWHCGFSZSA-N 2 0 297.377 3.568 20 30 CHEDRP C=CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000089215349 330381264 /nfs/dbraw/zinc/38/12/64/330381264.db2.gz ZBMSLWQUCDIFGO-IBGZPJMESA-N 2 0 299.462 3.632 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000467405835 331417832 /nfs/dbraw/zinc/41/78/32/331417832.db2.gz HSMOWZDOIWGUEZ-SOLBZPMBSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000177911068 333065453 /nfs/dbraw/zinc/06/54/53/333065453.db2.gz HOTUBWNFQOUBSA-GOSISDBHSA-N 2 0 284.447 3.649 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000544373253 333927564 /nfs/dbraw/zinc/92/75/64/333927564.db2.gz WAKFCBJOKYLLBY-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245932339 334224756 /nfs/dbraw/zinc/22/47/56/334224756.db2.gz SOUAXIIHEQHHFR-IAGOWNOFSA-N 2 0 299.462 3.721 20 30 CHEDRP C=C[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1C=C ZINC000581107546 336008965 /nfs/dbraw/zinc/00/89/65/336008965.db2.gz JSUBJMFIRWCPJT-HDICACEKSA-N 2 0 276.468 3.848 20 30 CHEDRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833107 522864206 /nfs/dbraw/zinc/86/42/06/522864206.db2.gz UFUJGPUGRXJIHX-IEBWSBKVSA-N 2 0 299.462 3.719 20 30 CHEDRP C=C[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353408151 527415169 /nfs/dbraw/zinc/41/51/69/527415169.db2.gz YWWOUPCADSWUAJ-FAEJEUNOSA-N 2 0 272.436 3.594 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904745 1123069698 /nfs/dbraw/zinc/06/96/98/1123069698.db2.gz XELFPXIVIQARCN-CVEARBPZSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCCCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209439277 1134020417 /nfs/dbraw/zinc/02/04/17/1134020417.db2.gz LUESVEGHLFPWCG-QGZVFWFLSA-N 2 0 264.457 3.683 20 30 CHEDRP CCCCCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160809521 1126774308 /nfs/dbraw/zinc/77/43/08/1126774308.db2.gz AYLRHKZYEGFUMS-HNNXBMFYSA-N 2 0 254.462 3.667 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041724 1130704263 /nfs/dbraw/zinc/70/42/63/1130704263.db2.gz SAAWRGVZAVRZFG-KRWDZBQOSA-N 2 0 264.457 3.731 20 30 CHEDRP C=CCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000573235144 1127304718 /nfs/dbraw/zinc/30/47/18/1127304718.db2.gz MAYBCYNEWZTZDA-ULQDDVLXSA-N 2 0 258.409 3.553 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602511709 1127589685 /nfs/dbraw/zinc/58/96/85/1127589685.db2.gz KHCXCBJYGBOJEX-UHFFFAOYSA-N 2 0 299.462 3.700 20 30 CHEDRP C[C@H](CC[NH2+]C1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000602574389 1127594241 /nfs/dbraw/zinc/59/42/41/1127594241.db2.gz ZUQKATHPDWJSKK-LRYGQEGESA-N 2 0 299.462 3.569 20 30 CHEDRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980674 1127649387 /nfs/dbraw/zinc/64/93/87/1127649387.db2.gz NQTNIZGWBQZRHY-ZWKOTPCHSA-N 2 0 299.462 3.884 20 30 CHEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000367084575 1127750220 /nfs/dbraw/zinc/75/02/20/1127750220.db2.gz BEECNJYXPFWUFR-OAHLLOKOSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000467415258 1127968034 /nfs/dbraw/zinc/96/80/34/1127968034.db2.gz YHMHMRYUFYBEJY-FUMNGEBKSA-N 2 0 298.474 3.841 20 30 CHEDRP C=C(C)CN(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000470906980 1128080277 /nfs/dbraw/zinc/08/02/77/1128080277.db2.gz QLPKUCUNIVXFPD-GOSISDBHSA-N 2 0 272.436 3.549 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152280 1128305735 /nfs/dbraw/zinc/30/57/35/1128305735.db2.gz LUYJSCNAIBXSMU-SFHVURJKSA-N 2 0 278.484 3.977 20 30 CHEDRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569394 1128587972 /nfs/dbraw/zinc/58/79/72/1128587972.db2.gz QEDATJMGMJPKIU-MSOLQXFVSA-N 2 0 299.462 3.502 20 30 CHEDRP C=CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623541449 1117869583 /nfs/dbraw/zinc/86/95/83/1117869583.db2.gz KMONOBMKBOYRLC-OAHLLOKOSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001209432822 1118056277 /nfs/dbraw/zinc/05/62/77/1118056277.db2.gz KJQKVYCAJMXLCG-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP CCCCCCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715518993 1118310412 /nfs/dbraw/zinc/31/04/12/1118310412.db2.gz RHSVMPHWQCSNEL-UHFFFAOYSA-N 2 0 254.462 3.809 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC000152964679 1119137449 /nfs/dbraw/zinc/13/74/49/1119137449.db2.gz KEKSAHYEAKUFEX-GOSISDBHSA-N 2 0 272.436 3.768 20 30 CHEDRP C=CCCC[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091508700 1119257116 /nfs/dbraw/zinc/25/71/16/1119257116.db2.gz NMRAAEYBEUZXAY-MRXNPFEDSA-N 2 0 264.457 3.539 20 30 CHEDRP CCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375738189 1119341956 /nfs/dbraw/zinc/34/19/56/1119341956.db2.gz LGOKOQDNYPLIFY-XYPWUTKMSA-N 2 0 252.446 3.514 20 30 CHEDRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181513855 1128884659 /nfs/dbraw/zinc/88/46/59/1128884659.db2.gz XVBFKCLNBGNMQZ-ZACQAIPSSA-N 2 0 299.462 3.577 20 30 CHEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H](C1)C2 ZINC000715562438 1120129972 /nfs/dbraw/zinc/12/99/72/1120129972.db2.gz PNEAWSHLGAQAMR-GFHHTVLPSA-N 2 0 276.468 3.584 20 30 CHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000922318428 1120508995 /nfs/dbraw/zinc/50/89/95/1120508995.db2.gz UPGOSPLPGHUHTM-UHFFFAOYSA-N 2 0 299.462 3.528 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000695843765 1120517289 /nfs/dbraw/zinc/51/72/89/1120517289.db2.gz RIEFOZZBUADFRP-OAHLLOKOSA-N 2 0 279.472 3.559 20 30 CHEDRP CCCC[N@H+](CCC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167828051 1121006442 /nfs/dbraw/zinc/00/64/42/1121006442.db2.gz VPKUEHNAODAKPX-INIZCTEOSA-N 2 0 267.461 3.513 20 30 CHEDRP C=C(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000893668854 1121156785 /nfs/dbraw/zinc/15/67/85/1121156785.db2.gz ROLRVKDVJHZLCV-QGZVFWFLSA-N 2 0 294.389 3.513 20 30 CHEDRP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658115311 1121166060 /nfs/dbraw/zinc/16/60/60/1121166060.db2.gz UNORCKRFVXTOBE-OTWHNJEPSA-N 2 0 284.447 3.595 20 30 CHEDRP C=C(C)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512239949 1121219054 /nfs/dbraw/zinc/21/90/54/1121219054.db2.gz BSWOVBNRWFOFRI-IBGZPJMESA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000280245743 1121879597 /nfs/dbraw/zinc/87/95/97/1121879597.db2.gz YNUZFRHIHUWPGV-REPLKXPHSA-N 2 0 284.447 3.738 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436289196 1122533402 /nfs/dbraw/zinc/53/34/02/1122533402.db2.gz MEACUJSBFKVAND-WBVHZDCISA-N 2 0 264.457 3.728 20 30 CHEDRP CCCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190366598 1122536665 /nfs/dbraw/zinc/53/66/65/1122536665.db2.gz RUSPJXWLUXHKJK-UHFFFAOYSA-N 2 0 266.473 3.907 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665230608 1123234591 /nfs/dbraw/zinc/23/45/91/1123234591.db2.gz RYVNDDXLJIKIKT-HDMKZQKVSA-N 2 0 287.451 3.634 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009567 1123654087 /nfs/dbraw/zinc/65/40/87/1123654087.db2.gz XDGKVPYGWFGYQS-QGZVFWFLSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212416 1123690111 /nfs/dbraw/zinc/69/01/11/1123690111.db2.gz JJLPFKVQXYHFPX-UHFFFAOYSA-N 2 0 260.425 3.536 20 30 CHEDRP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000509638188 1124133855 /nfs/dbraw/zinc/13/38/55/1124133855.db2.gz CAIHDQFKHLZERZ-QGZVFWFLSA-N 2 0 264.457 3.541 20 30 CHEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000448028881 1124559639 /nfs/dbraw/zinc/55/96/39/1124559639.db2.gz PGNOJQXTAUKCKU-HSALFYBXSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449487355 1124766510 /nfs/dbraw/zinc/76/65/10/1124766510.db2.gz YHKFGXYEKLOQDP-WBVHZDCISA-N 2 0 278.484 3.831 20 30 CHEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244511 1125245323 /nfs/dbraw/zinc/24/53/23/1125245323.db2.gz XBCZYDXBETYOIB-RBUKOAKNSA-N 2 0 284.447 3.549 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129478 1131344108 /nfs/dbraw/zinc/34/41/08/1131344108.db2.gz FBIHHKGCFLEYBA-SJORKVTESA-N 2 0 296.499 3.626 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246134745 1131344700 /nfs/dbraw/zinc/34/47/00/1131344700.db2.gz NGYOPLAOOPHCBI-HRCADAONSA-N 2 0 252.446 3.610 20 30 CHEDRP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000883171657 1125375077 /nfs/dbraw/zinc/37/50/77/1125375077.db2.gz FBTWTEKKMFGSGA-MOPGFXCFSA-N 2 0 298.474 3.638 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C1 ZINC000651750079 1129747090 /nfs/dbraw/zinc/74/70/90/1129747090.db2.gz VLKBOUHXKWZTID-BRWVUGGUSA-N 2 0 266.473 3.831 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001246216851 1131405179 /nfs/dbraw/zinc/40/51/79/1131405179.db2.gz QADMSULGEQWGBT-HZPDHXFCSA-N 2 0 254.462 3.715 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000793526202 1130563548 /nfs/dbraw/zinc/56/35/48/1130563548.db2.gz KXLSAOPFKPBECS-DLBZAZTESA-N 2 0 266.473 3.833 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033204 1130702240 /nfs/dbraw/zinc/70/22/40/1130702240.db2.gz UYDYWVRKGJXLFG-QGZVFWFLSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235103868 1130711293 /nfs/dbraw/zinc/71/12/93/1130711293.db2.gz HDRBGTWFIUHTIN-CMDGGOBGSA-N 2 0 278.484 3.979 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001235135585 1130713228 /nfs/dbraw/zinc/71/32/28/1130713228.db2.gz OHCGPVPFVLCOFV-GOSISDBHSA-N 2 0 288.479 3.755 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337914 1130733608 /nfs/dbraw/zinc/73/36/08/1130733608.db2.gz LVIYXZCXGKABNR-QGZVFWFLSA-N 2 0 278.484 3.835 20 30 CHEDRP CCCCCCCCC[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335012 1130734735 /nfs/dbraw/zinc/73/47/35/1130734735.db2.gz KDRRFKZNOPCMRH-UHFFFAOYSA-N 2 0 266.473 3.668 20 30 CHEDRP CCCCCCCCC[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235393460 1130738610 /nfs/dbraw/zinc/73/86/10/1130738610.db2.gz AHEKSLZCTYKROB-JKSUJKDBSA-N 2 0 284.463 3.746 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CCC([NH2+]C)CC1 ZINC001235790044 1130780069 /nfs/dbraw/zinc/78/00/69/1130780069.db2.gz ZGXAFJZDAGPYBF-UHFFFAOYSA-N 2 0 266.473 3.977 20 30 CHEDRP CCCCCCCCCCC[NH+]1CC2(CC([NH3+])C2)C1 ZINC001235820717 1130783490 /nfs/dbraw/zinc/78/34/90/1130783490.db2.gz TVDIBJKNESKVHZ-UHFFFAOYSA-N 2 0 266.473 3.940 20 30 CHEDRP C=CCCCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373793 1130923417 /nfs/dbraw/zinc/92/34/17/1130923417.db2.gz LGLWDXXFSDIQGT-QGZVFWFLSA-N 2 0 278.484 3.977 20 30 CHEDRP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC001236434967 1130940803 /nfs/dbraw/zinc/94/08/03/1130940803.db2.gz ZNRQMMANCWUIHH-UHFFFAOYSA-N 2 0 270.420 3.611 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236820007 1131013594 /nfs/dbraw/zinc/01/35/94/1131013594.db2.gz PJSSABSYPOYFOD-CVHJSEFTSA-N 2 0 264.457 3.572 20 30 CHEDRP C#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237886736 1131148736 /nfs/dbraw/zinc/14/87/36/1131148736.db2.gz QWASBXJYFPTDCZ-MRXNPFEDSA-N 2 0 294.442 3.533 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414342 1131160802 /nfs/dbraw/zinc/16/08/02/1131160802.db2.gz WYLPCBZAVLOCIG-GTPINHCMSA-N 2 0 266.473 3.974 20 30 CHEDRP C=CCCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817930691 1131192442 /nfs/dbraw/zinc/19/24/42/1131192442.db2.gz FNQNIUJWRVNBOR-SJPCQFCGSA-N 2 0 264.457 3.776 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C/C=C/C[NH3+] ZINC001246361572 1131486931 /nfs/dbraw/zinc/48/69/31/1131486931.db2.gz INRRXLHUSBQHTF-ZNFPLGDCSA-N 2 0 254.462 3.866 20 30 CHEDRP CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541938 1131582650 /nfs/dbraw/zinc/58/26/50/1131582650.db2.gz HTYXSJLVIWLHLZ-ZWKOTPCHSA-N 2 0 298.515 3.691 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246659964 1131779749 /nfs/dbraw/zinc/77/97/49/1131779749.db2.gz NIMFRHZJFHATCY-YVSFHVDLSA-N 2 0 266.473 3.937 20 30 CHEDRP C=CCCCC[N@@H+](C)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246869945 1131798190 /nfs/dbraw/zinc/79/81/90/1131798190.db2.gz JGXSNCCMFSXEJV-MUJYYYPQSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[N@@H+]([C@@H]1CC[NH2+][C@H](CCCC)C1)C(C)(C)C ZINC001246921283 1131818387 /nfs/dbraw/zinc/81/83/87/1131818387.db2.gz PDNDSCIZNSZLRC-HUUCEWRRSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC001171339452 1131872856 /nfs/dbraw/zinc/87/28/56/1131872856.db2.gz MDPAJMUPZGRABO-RBUKOAKNSA-N 2 0 299.462 3.564 20 30 CHEDRP C=C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172110905 1132134667 /nfs/dbraw/zinc/13/46/67/1132134667.db2.gz RBDOPRSCWBFFNY-ZJPYXAASSA-N 2 0 270.420 3.519 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484707 1132230967 /nfs/dbraw/zinc/23/09/67/1132230967.db2.gz CBHDQZGEJSJALV-JFIYKMOQSA-N 2 0 291.483 3.973 20 30 CHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@H](C)CCCC#N)CC1 ZINC001172489686 1132247066 /nfs/dbraw/zinc/24/70/66/1132247066.db2.gz YKHLSXBQVSAQKR-OAHLLOKOSA-N 2 0 279.472 3.559 20 30 CHEDRP CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172508346 1132255387 /nfs/dbraw/zinc/25/53/87/1132255387.db2.gz JJAPZOBNSIQVIP-OWCLPIDISA-N 2 0 254.462 3.985 20 30 CHEDRP C=CCOC1CCC([NH2+][C@H](C)CCC[NH+](CC)CC)CC1 ZINC001173315462 1132476031 /nfs/dbraw/zinc/47/60/31/1132476031.db2.gz NIWSUZKCBNTRLU-WWDZGPRUSA-N 2 0 296.499 3.600 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053406 1133650506 /nfs/dbraw/zinc/65/05/06/1133650506.db2.gz UVRNLDHWICZMMN-HZPDHXFCSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164326 1133982231 /nfs/dbraw/zinc/98/22/31/1133982231.db2.gz AWPRCYRMBUZWAF-PMACEKPBSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209428489 1134016947 /nfs/dbraw/zinc/01/69/47/1134016947.db2.gz HJMADZOLTOJNQA-UHFFFAOYSA-N 2 0 282.447 3.631 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222203079 1135206792 /nfs/dbraw/zinc/20/67/92/1135206792.db2.gz GNUFJKZWURTSNR-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264858 1135215828 /nfs/dbraw/zinc/21/58/28/1135215828.db2.gz IVFLZIVKAYFJJN-QGZVFWFLSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCCCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222528007 1135247736 /nfs/dbraw/zinc/24/77/36/1135247736.db2.gz SLOKSXMBGABVQI-UHFFFAOYSA-N 2 0 272.452 3.890 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185785360 262070800 /nfs/dbraw/zinc/07/08/00/262070800.db2.gz USVNPJLEWHBFIF-APWZRJJASA-N 2 0 299.462 3.700 20 30 CHEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365436333 262365186 /nfs/dbraw/zinc/36/51/86/262365186.db2.gz ZCEUBUNVSVUFDX-KRWDZBQOSA-N 2 0 291.483 3.514 20 30 CHEDRP C[C@H](NCCC[N@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000193435709 267376101 /nfs/dbraw/zinc/37/61/01/267376101.db2.gz OWMIFJXMKOPSIS-INIZCTEOSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000582575959 329110201 /nfs/dbraw/zinc/11/02/01/329110201.db2.gz OFZMUVONYKKOCK-OAHLLOKOSA-N 2 0 284.513 3.538 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377588 329816975 /nfs/dbraw/zinc/81/69/75/329816975.db2.gz TXKKGMDTWNPURW-QQFBHYJXSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccco1 ZINC000276421263 330113629 /nfs/dbraw/zinc/11/36/29/330113629.db2.gz HLTVTPUKSXSVMU-INIZCTEOSA-N 2 0 274.408 3.503 20 30 CHEDRP C=CCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCCC1 ZINC000423162009 330173598 /nfs/dbraw/zinc/17/35/98/330173598.db2.gz OPDZHRDFKBGFCU-CQSZACIVSA-N 2 0 287.451 3.636 20 30 CHEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423513928 330209355 /nfs/dbraw/zinc/20/93/55/330209355.db2.gz VURVHYWFSVPHTB-ZOBUZTSGSA-N 2 0 260.425 3.657 20 30 CHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)CC#N)CC2)C1 ZINC000459726305 331296047 /nfs/dbraw/zinc/29/60/47/331296047.db2.gz DXPZGFFAFVSLJB-NVXWUHKLSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000467404092 331417625 /nfs/dbraw/zinc/41/76/25/331417625.db2.gz JFHAKKSGGFXKPY-SOLBZPMBSA-N 2 0 278.484 3.974 20 30 CHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152475 331825483 /nfs/dbraw/zinc/82/54/83/331825483.db2.gz RCGNWRCMWLJNND-SJORKVTESA-N 2 0 293.499 3.807 20 30 CHEDRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299066 335152181 /nfs/dbraw/zinc/15/21/81/335152181.db2.gz PAXKZTXTPYQJOI-IYBDPMFKSA-N 2 0 293.499 3.662 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000544373248 333927494 /nfs/dbraw/zinc/92/74/94/333927494.db2.gz WAKFCBJOKYLLBY-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181979935 335793257 /nfs/dbraw/zinc/79/32/57/335793257.db2.gz LYNIEECHAXELEI-KRWDZBQOSA-N 2 0 299.462 3.865 20 30 CHEDRP C#CCCCCCC[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC001206856036 1133756332 /nfs/dbraw/zinc/75/63/32/1133756332.db2.gz LYGIGECKSIEFAR-UHFFFAOYSA-N 2 0 278.484 3.670 20 30 CHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248745119 1125674880 /nfs/dbraw/zinc/67/48/80/1125674880.db2.gz FLFUXNRGJRKBRA-VQIMIIECSA-N 2 0 299.462 3.699 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236822523 1131013916 /nfs/dbraw/zinc/01/39/16/1131013916.db2.gz ZTHZCTPZHTWXFC-KSZLIROESA-N 2 0 278.484 3.962 20 30 CHEDRP C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000590257303 1127252807 /nfs/dbraw/zinc/25/28/07/1127252807.db2.gz DCDRYSPYTDLRRN-APWZRJJASA-N 2 0 299.462 3.741 20 30 CHEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000602451014 1127577693 /nfs/dbraw/zinc/57/76/93/1127577693.db2.gz NKWHXDAKRXAFPE-SQNIBIBYSA-N 2 0 291.483 3.513 20 30 CHEDRP CCN(CC)[C@H](C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602501041 1127584124 /nfs/dbraw/zinc/58/41/24/1127584124.db2.gz CPFHQCLDMFLOES-SJLPKXTDSA-N 2 0 287.451 3.599 20 30 CHEDRP C[C@H](CCC#N)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000602480861 1127584212 /nfs/dbraw/zinc/58/42/12/1127584212.db2.gz ZOKZQJICLUWVBT-QGZVFWFLSA-N 2 0 291.483 3.514 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000602581704 1127596991 /nfs/dbraw/zinc/59/69/91/1127596991.db2.gz KJLMDXKQENLWJU-AOCRQIFASA-N 2 0 291.483 3.559 20 30 CHEDRP CCC[NH+]1CCC([N@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000409446494 1127768355 /nfs/dbraw/zinc/76/83/55/1127768355.db2.gz PUEDAFQIVICWFV-UHFFFAOYSA-N 2 0 279.472 3.513 20 30 CHEDRP C#CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925161138 1128124131 /nfs/dbraw/zinc/12/41/31/1128124131.db2.gz ILAKGWIQEHUJBU-IHWFROFDSA-N 2 0 296.458 3.575 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925209036 1128125794 /nfs/dbraw/zinc/12/57/94/1128125794.db2.gz WASIMXUAIKACFB-OAHLLOKOSA-N 2 0 291.483 3.701 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186858 1128312799 /nfs/dbraw/zinc/31/27/99/1128312799.db2.gz OBPQXLRCMYMLCS-MSOLQXFVSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000567122113 1128558262 /nfs/dbraw/zinc/55/82/62/1128558262.db2.gz LWAVEVJFHNJZMO-CVEARBPZSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668387 1118064125 /nfs/dbraw/zinc/06/41/25/1118064125.db2.gz NNQWAWRJRPOFMH-HOTGVXAUSA-N 2 0 291.483 3.559 20 30 CHEDRP C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668403 1118064190 /nfs/dbraw/zinc/06/41/90/1118064190.db2.gz NNQWAWRJRPOFMH-CVEARBPZSA-N 2 0 291.483 3.559 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209012 1118157595 /nfs/dbraw/zinc/15/75/95/1118157595.db2.gz HKLJRRSBUMZZIF-SFHVURJKSA-N 2 0 298.515 3.693 20 30 CHEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000448028883 1118922020 /nfs/dbraw/zinc/92/20/20/1118922020.db2.gz PGNOJQXTAUKCKU-VAMGGRTRSA-N 2 0 298.474 3.843 20 30 CHEDRP CCCCCCCCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226437010 1118927970 /nfs/dbraw/zinc/92/79/70/1118927970.db2.gz PRFDYTHYDIEVHA-MRXNPFEDSA-N 2 0 254.462 3.668 20 30 CHEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000187702859 1118931696 /nfs/dbraw/zinc/93/16/96/1118931696.db2.gz WVTWLIRFPGEXRD-INIZCTEOSA-N 2 0 299.462 3.673 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CCC[C@H](C)C2)C1 ZINC001648920610 1119595353 /nfs/dbraw/zinc/59/53/53/1119595353.db2.gz DMEGHMQMHGYLDF-BBWFWOEESA-N 2 0 278.484 3.831 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC001648920611 1119595591 /nfs/dbraw/zinc/59/55/91/1119595591.db2.gz DMEGHMQMHGYLDF-BRWVUGGUSA-N 2 0 278.484 3.831 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000658029813 1119666925 /nfs/dbraw/zinc/66/69/25/1119666925.db2.gz AXKSAZRBAOJYQJ-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=C1C[C@@H]2CC([NH2+]C3CCC([NH+](C)C)CC3)C[C@H](C1)C2 ZINC000715566736 1120130874 /nfs/dbraw/zinc/13/08/74/1120130874.db2.gz AXHLULWGBZJXTQ-BOAJJUGWSA-N 2 0 276.468 3.584 20 30 CHEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000765927384 1120211295 /nfs/dbraw/zinc/21/12/95/1120211295.db2.gz RNAIPIBNWSPLEK-ROUUACIJSA-N 2 0 291.483 3.705 20 30 CHEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000925679164 1120569722 /nfs/dbraw/zinc/56/97/22/1120569722.db2.gz YQZJYVYEPPDTRU-KZNAEPCWSA-N 2 0 299.462 3.917 20 30 CHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000182045714 1128926498 /nfs/dbraw/zinc/92/64/98/1128926498.db2.gz RKUVWSGFKMCAHW-WMZOPIPTSA-N 2 0 299.462 3.577 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651748770 1120735625 /nfs/dbraw/zinc/73/56/25/1120735625.db2.gz XNQMKVHNEPFQLT-SJLPKXTDSA-N 2 0 299.462 3.632 20 30 CHEDRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000572708176 1121393871 /nfs/dbraw/zinc/39/38/71/1121393871.db2.gz WRNODFJFJZSGDF-VQIMIIECSA-N 2 0 299.462 3.721 20 30 CHEDRP CCCCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000705825872 1121411245 /nfs/dbraw/zinc/41/12/45/1121411245.db2.gz SXKWRKJJNROSRI-UHFFFAOYSA-N 2 0 275.440 3.610 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000153017814 1129015900 /nfs/dbraw/zinc/01/59/00/1129015900.db2.gz QIFNBMULWIGGDD-IBGZPJMESA-N 2 0 284.447 3.612 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001180811546 1122018446 /nfs/dbraw/zinc/01/84/46/1122018446.db2.gz SCRDUEHEKZXQLC-CVEARBPZSA-N 2 0 252.446 3.585 20 30 CHEDRP C#CCCCCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001183863380 1122244925 /nfs/dbraw/zinc/24/49/25/1122244925.db2.gz CVSRBRUISRCRAW-UHFFFAOYSA-N 2 0 290.495 3.957 20 30 CHEDRP C=CCCCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC001194525592 1122782172 /nfs/dbraw/zinc/78/21/72/1122782172.db2.gz QKYULXBIVOWNPB-UHFFFAOYSA-N 2 0 286.463 3.987 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000105926482 1123086517 /nfs/dbraw/zinc/08/65/17/1123086517.db2.gz OVSHKUYZSGZFSB-HNNXBMFYSA-N 2 0 254.462 3.667 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001201567265 1123125802 /nfs/dbraw/zinc/12/58/02/1123125802.db2.gz WGLOOZZIQASILD-SQNIBIBYSA-N 2 0 278.484 3.689 20 30 CHEDRP CCCCCCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201787227 1123151553 /nfs/dbraw/zinc/15/15/53/1123151553.db2.gz AWRTYKWXXDDAKV-UHFFFAOYSA-N 2 0 296.499 3.532 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201840176 1123155301 /nfs/dbraw/zinc/15/53/01/1123155301.db2.gz NXXVXAHMOBINMZ-UHFFFAOYSA-N 2 0 266.473 3.765 20 30 CHEDRP C=CC[C@H]1[NH+](CC[C@@H]2CCC[N@H+]2C)CCCC1(C)C ZINC000444794102 1124065944 /nfs/dbraw/zinc/06/59/44/1124065944.db2.gz UPWHZIXQQZQPMY-JKSUJKDBSA-N 2 0 264.457 3.537 20 30 CHEDRP CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000866516505 1124077591 /nfs/dbraw/zinc/07/75/91/1124077591.db2.gz ASVDQYXADKCAOB-XBMUEBEBSA-N 2 0 299.462 3.862 20 30 CHEDRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000447521512 1124479756 /nfs/dbraw/zinc/47/97/56/1124479756.db2.gz WLIFQZDVHPOYHW-IBGZPJMESA-N 2 0 299.462 3.721 20 30 CHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449084830 1124643787 /nfs/dbraw/zinc/64/37/87/1124643787.db2.gz ZBNQVSHZAIRYBM-AOCRQIFASA-N 2 0 291.483 3.703 20 30 CHEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019544 1131274915 /nfs/dbraw/zinc/27/49/15/1131274915.db2.gz FVRXWRZBTFKHCQ-MSOLQXFVSA-N 2 0 298.515 3.549 20 30 CHEDRP CCCCCCCCCC[C@H](O)CN1CCC[NH2+]C[C@@H]1C ZINC001246025058 1131275811 /nfs/dbraw/zinc/27/58/11/1131275811.db2.gz BSEVDENCDDFMED-ROUUACIJSA-N 2 0 298.515 3.562 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]CC1(C)C[NH2+]C1 ZINC001246096778 1131309602 /nfs/dbraw/zinc/30/96/02/1131309602.db2.gz WPVOLVXHGDKHOV-HNNXBMFYSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC[NH2+][C@@H]1C ZINC001246093255 1131305427 /nfs/dbraw/zinc/30/54/27/1131305427.db2.gz MVKQXAYADGKXAZ-OWCLPIDISA-N 2 0 254.462 3.713 20 30 CHEDRP CC(C)(CCC#N)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877795274 1125080899 /nfs/dbraw/zinc/08/08/99/1125080899.db2.gz DYDXKFFTYSPQSR-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000052208944 1125374877 /nfs/dbraw/zinc/37/48/77/1125374877.db2.gz IDCYRKVKNAVRBJ-UHFFFAOYSA-N 2 0 299.462 3.502 20 30 CHEDRP C=CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000883171658 1125375145 /nfs/dbraw/zinc/37/51/45/1125375145.db2.gz FBTWTEKKMFGSGA-OALUTQOASA-N 2 0 298.474 3.638 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000103028035 1129684175 /nfs/dbraw/zinc/68/41/75/1129684175.db2.gz NQTULGVNJSFIGW-CVEARBPZSA-N 2 0 266.473 3.809 20 30 CHEDRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(C#N)c1 ZINC000902737033 1130048605 /nfs/dbraw/zinc/04/86/05/1130048605.db2.gz OIMDOKRFAQYHJG-LJQANCHMSA-N 2 0 299.462 3.719 20 30 CHEDRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000903001207 1130098301 /nfs/dbraw/zinc/09/83/01/1130098301.db2.gz QVJXAAABXHZNOK-IBGZPJMESA-N 2 0 299.462 3.865 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000792232301 1130439303 /nfs/dbraw/zinc/43/93/03/1130439303.db2.gz OQMMAEWTTLVCBS-INIZCTEOSA-N 2 0 254.462 3.621 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000793526204 1130563798 /nfs/dbraw/zinc/56/37/98/1130563798.db2.gz KXLSAOPFKPBECS-IRXDYDNUSA-N 2 0 266.473 3.833 20 30 CHEDRP C=C(C)[C@@H]1CC=C(CN2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235126087 1130713654 /nfs/dbraw/zinc/71/36/54/1130713654.db2.gz RWIUBCLQMOZZPA-QZTJIDSGSA-N 2 0 274.452 3.507 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337188 1130734596 /nfs/dbraw/zinc/73/45/96/1130734596.db2.gz HCCIHTDLMUAWNS-INIZCTEOSA-N 2 0 266.473 3.668 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365721 1130737550 /nfs/dbraw/zinc/73/75/50/1130737550.db2.gz PCTLJKYBYUYGKT-UXHICEINSA-N 2 0 298.474 3.596 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424773 1130742447 /nfs/dbraw/zinc/74/24/47/1130742447.db2.gz JOPWJXVPJGZGLN-ZWKOTPCHSA-N 2 0 278.484 3.835 20 30 CHEDRP CCCCCCCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001235664326 1130763688 /nfs/dbraw/zinc/76/36/88/1130763688.db2.gz QYNNDWUVAXUDHW-INIZCTEOSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675427 1130766525 /nfs/dbraw/zinc/76/65/25/1130766525.db2.gz YAIMQNOAFGJVCK-MRXNPFEDSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235715149 1130771535 /nfs/dbraw/zinc/77/15/35/1130771535.db2.gz PVQURIZPEOKMFC-UHFFFAOYSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCC[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236228513 1130897153 /nfs/dbraw/zinc/89/71/53/1130897153.db2.gz VRKCZGCEJDKFLT-UHFFFAOYSA-N 2 0 272.436 3.725 20 30 CHEDRP C=CCCCCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285783 1130910924 /nfs/dbraw/zinc/91/09/24/1130910924.db2.gz FZNIAZROIRONJT-UHFFFAOYSA-N 2 0 286.463 3.987 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314501 1130912503 /nfs/dbraw/zinc/91/25/03/1130912503.db2.gz PCFVHFFLQPDRBB-HDICACEKSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CC[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C(C)(C)C ZINC001236310404 1130912720 /nfs/dbraw/zinc/91/27/20/1130912720.db2.gz YJSMRWDXEBCHKD-UHFFFAOYSA-N 2 0 297.446 3.531 20 30 CHEDRP C#Cc1ccc(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236572043 1130978843 /nfs/dbraw/zinc/97/88/43/1130978843.db2.gz RCAORHZDBIOIME-KESTWPANSA-N 2 0 296.458 3.682 20 30 CHEDRP C#Cc1ccc(C[N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236790384 1131005734 /nfs/dbraw/zinc/00/57/34/1131005734.db2.gz GYNQPXFCGGRCFT-KESTWPANSA-N 2 0 298.474 3.928 20 30 CHEDRP CCCCCCCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817912960 1131188126 /nfs/dbraw/zinc/18/81/26/1131188126.db2.gz LHXDYTXNQMKZKT-CQSZACIVSA-N 2 0 277.456 3.860 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC001246231612 1131418795 /nfs/dbraw/zinc/41/87/95/1131418795.db2.gz NMHLSQLKBQPTHH-HOTGVXAUSA-N 2 0 254.462 3.715 20 30 CHEDRP C=CCCCC[N@@H+](C)Cc1ccc(-n2ccnc2C)cc1 ZINC001138549927 1131520510 /nfs/dbraw/zinc/52/05/10/1131520510.db2.gz GHMDKAMEZKUAIO-UHFFFAOYSA-N 2 0 283.419 3.969 20 30 CHEDRP C#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001144573910 1131661321 /nfs/dbraw/zinc/66/13/21/1131661321.db2.gz TUDHWLDXDLCOQX-FQEVSTJZSA-N 2 0 296.458 3.508 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223353 1131701439 /nfs/dbraw/zinc/70/14/39/1131701439.db2.gz PWOQLAAVNYMSPC-OKZBNKHCSA-N 2 0 296.499 3.565 20 30 CHEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000834895122 1131720947 /nfs/dbraw/zinc/72/09/47/1131720947.db2.gz ZINFXVDHJDXRLR-IPQPSQTFSA-N 2 0 284.447 3.909 20 30 CHEDRP CCCCCCC[C@H](C)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247016793 1131842245 /nfs/dbraw/zinc/84/22/45/1131842245.db2.gz XWXBTPMKBDLDMJ-ULQDDVLXSA-N 2 0 266.473 3.809 20 30 CHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC001171339451 1131872919 /nfs/dbraw/zinc/87/29/19/1131872919.db2.gz MDPAJMUPZGRABO-OALUTQOASA-N 2 0 299.462 3.564 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486568 1132230943 /nfs/dbraw/zinc/23/09/43/1132230943.db2.gz GFHGXPGLIMMDGJ-JYJNAYRXSA-N 2 0 279.472 3.687 20 30 CHEDRP CCCCCCC/C=C/CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205733972 1133606865 /nfs/dbraw/zinc/60/68/65/1133606865.db2.gz AJEUGRZWAAQVOH-HVHJFMEUSA-N 2 0 288.426 3.819 20 30 CHEDRP C=CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209201021 1133986771 /nfs/dbraw/zinc/98/67/71/1133986771.db2.gz TUDCUUFTDXWLTF-BGYRXZFFSA-N 2 0 298.474 3.715 20 30 CHEDRP C=CCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209427187 1134016185 /nfs/dbraw/zinc/01/61/85/1134016185.db2.gz JBQJGRACEYIFBZ-WOJBJXKFSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCCCC[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001209438960 1134020502 /nfs/dbraw/zinc/02/05/02/1134020502.db2.gz ZJBQTLOCJJIPMK-KRWDZBQOSA-N 2 0 288.435 3.980 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141900 1135199815 /nfs/dbraw/zinc/19/98/15/1135199815.db2.gz SDQBASWZHZIJNF-SFHVURJKSA-N 2 0 278.484 3.979 20 30 CHEDRP CC(C)(C#N)CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000232530786 260266569 /nfs/dbraw/zinc/26/65/69/260266569.db2.gz NIQTUIXXWUOUCQ-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP C=CCOc1cccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414802942 328231485 /nfs/dbraw/zinc/23/14/85/328231485.db2.gz CCOSTYXJKKWBAZ-HNNXBMFYSA-N 2 0 296.414 3.561 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159626419 327547203 /nfs/dbraw/zinc/54/72/03/327547203.db2.gz OHUYSMCCSXCQLZ-CYBMUJFWSA-N 2 0 252.446 3.630 20 30 CHEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423154600 330173492 /nfs/dbraw/zinc/17/34/92/330173492.db2.gz JSYPYWJKGQTDSW-GVDBMIGSSA-N 2 0 276.468 3.633 20 30 CHEDRP C=CCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000423162561 330173953 /nfs/dbraw/zinc/17/39/53/330173953.db2.gz PWPSHCLPCAYQJD-FUHWJXTLSA-N 2 0 286.463 3.671 20 30 CHEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000120196961 330386213 /nfs/dbraw/zinc/38/62/13/330386213.db2.gz CMBLAMXNRPRLOW-AEFFLSMTSA-N 2 0 278.484 3.975 20 30 CHEDRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447543984 330869355 /nfs/dbraw/zinc/86/93/55/330869355.db2.gz UKZCEWLBNFCOTH-IBGZPJMESA-N 2 0 299.462 3.721 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453309059 331114377 /nfs/dbraw/zinc/11/43/77/331114377.db2.gz OUROPTWKAYPACV-LDLYASANSA-N 2 0 298.474 3.984 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H](CC)C2CCCCC2)CC1 ZINC000177913961 333065522 /nfs/dbraw/zinc/06/55/22/333065522.db2.gz UXAVWYGRXODZNF-KRWDZBQOSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCC[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000130531480 333850425 /nfs/dbraw/zinc/85/04/25/333850425.db2.gz WQAXJGRDOIQXRH-INIZCTEOSA-N 2 0 274.452 3.973 20 30 CHEDRP C=CCC(C)(C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000577845526 335410352 /nfs/dbraw/zinc/41/03/52/335410352.db2.gz NUKFQLKPDBVITO-UHFFFAOYSA-N 2 0 278.484 3.975 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019914947 520636254 /nfs/dbraw/zinc/63/62/54/520636254.db2.gz DHTJGZHEAHXZCR-JKSUJKDBSA-N 2 0 287.451 3.719 20 30 CHEDRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(C#N)cc1 ZINC000278173399 522813371 /nfs/dbraw/zinc/81/33/71/522813371.db2.gz CPYHQSJSWKFNKR-LJQANCHMSA-N 2 0 299.462 3.719 20 30 CHEDRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000248756171 1125674437 /nfs/dbraw/zinc/67/44/37/1125674437.db2.gz GDZNIBWUCBHKQW-BHIYHBOVSA-N 2 0 299.462 3.569 20 30 CHEDRP C=CCCSCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886636106 1125700190 /nfs/dbraw/zinc/70/01/90/1125700190.db2.gz GCKYFNORGLJGMM-UHFFFAOYSA-N 2 0 296.524 3.682 20 30 CHEDRP CCC1([NH+]2CCC2)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000886716230 1125711559 /nfs/dbraw/zinc/71/15/59/1125711559.db2.gz SEGIZIVMIQRXRJ-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000181512468 1126856508 /nfs/dbraw/zinc/85/65/08/1126856508.db2.gz VULBEBXNZWHZFH-QGZVFWFLSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572242606 1127196707 /nfs/dbraw/zinc/19/67/07/1127196707.db2.gz SGGFTNKDTUHYIZ-FUHWJXTLSA-N 2 0 284.447 3.738 20 30 CHEDRP C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000590257305 1127253140 /nfs/dbraw/zinc/25/31/40/1127253140.db2.gz DCDRYSPYTDLRRN-LPHOPBHVSA-N 2 0 299.462 3.741 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CCC12CC[NH2+]CC2 ZINC000718694868 1127275367 /nfs/dbraw/zinc/27/53/67/1127275367.db2.gz XLZPBTBOPIQSFH-UHFFFAOYSA-N 2 0 266.473 3.955 20 30 CHEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602451012 1127578018 /nfs/dbraw/zinc/57/80/18/1127578018.db2.gz NKWHXDAKRXAFPE-KZNAEPCWSA-N 2 0 291.483 3.513 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000602510223 1127589370 /nfs/dbraw/zinc/58/93/70/1127589370.db2.gz RIVLNCCXESXDQR-KRWDZBQOSA-N 2 0 291.483 3.705 20 30 CHEDRP C[N@H+](CCCCC(C)(C)C#N)CC[C@H]1CCCC[NH+]1C ZINC000409446533 1127768850 /nfs/dbraw/zinc/76/88/50/1127768850.db2.gz ZHJPLEFMTNCCBA-MRXNPFEDSA-N 2 0 279.472 3.513 20 30 CHEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291044 1127852116 /nfs/dbraw/zinc/85/21/16/1127852116.db2.gz IKJPYAQJNKAREF-KRWDZBQOSA-N 2 0 291.483 3.657 20 30 CHEDRP CC[C@H](CC#N)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719918265 1127866857 /nfs/dbraw/zinc/86/68/57/1127866857.db2.gz RMYMJJNSXCZUOX-LJQANCHMSA-N 2 0 299.462 3.523 20 30 CHEDRP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540147721 1127962674 /nfs/dbraw/zinc/96/26/74/1127962674.db2.gz PWPVSUASAPKXII-SJLPKXTDSA-N 2 0 278.484 3.689 20 30 CHEDRP C=CCCC[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000540338404 1127975728 /nfs/dbraw/zinc/97/57/28/1127975728.db2.gz RCTGCWRLIQACHF-MRXNPFEDSA-N 2 0 266.473 3.783 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545271817 1128008809 /nfs/dbraw/zinc/00/88/09/1128008809.db2.gz KMYRWSRXGSQKEC-QRQLOZEOSA-N 2 0 286.463 3.841 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924583328 1128106223 /nfs/dbraw/zinc/10/62/23/1128106223.db2.gz SHKSRJJJDXYGDA-MRXNPFEDSA-N 2 0 299.462 3.700 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925050805 1128120135 /nfs/dbraw/zinc/12/01/35/1128120135.db2.gz VUZUUYRCSBJCEN-MRXNPFEDSA-N 2 0 279.472 3.561 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235255206 1128316624 /nfs/dbraw/zinc/31/66/24/1128316624.db2.gz LPXOBLNEVTZXLV-ZWKOTPCHSA-N 2 0 278.484 3.977 20 30 CHEDRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569397 1128587533 /nfs/dbraw/zinc/58/75/33/1128587533.db2.gz QEDATJMGMJPKIU-ZWKOTPCHSA-N 2 0 299.462 3.502 20 30 CHEDRP CCCCCCCCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129312339 1118784719 /nfs/dbraw/zinc/78/47/19/1118784719.db2.gz ZDDUIXAYBKPNGQ-INIZCTEOSA-N 2 0 254.462 3.859 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC)CC1 ZINC000657823077 1119468009 /nfs/dbraw/zinc/46/80/09/1119468009.db2.gz IHZXTECDUSQVTE-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000569641417 1119492964 /nfs/dbraw/zinc/49/29/64/1119492964.db2.gz LOTMLEOWWXMLCZ-OAHLLOKOSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000658039278 1119670376 /nfs/dbraw/zinc/67/03/76/1119670376.db2.gz XQBMJAIVPBUTOF-OTBWCIGPSA-N 2 0 264.457 3.584 20 30 CHEDRP CC1(C)C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925616284 1120470876 /nfs/dbraw/zinc/47/08/76/1120470876.db2.gz LTEUSLVUULSFGB-IXDOHACOSA-N 2 0 285.435 3.527 20 30 CHEDRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443386 1120530144 /nfs/dbraw/zinc/53/01/44/1120530144.db2.gz SIYVRLCWNBLQMV-PBHICJAKSA-N 2 0 287.451 3.575 20 30 CHEDRP C=CCc1cc(C)cnc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167751343 1120540504 /nfs/dbraw/zinc/54/05/04/1120540504.db2.gz JTOZFCNCBWCRJT-MRXNPFEDSA-N 2 0 287.451 3.795 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000651749817 1120733684 /nfs/dbraw/zinc/73/36/84/1120733684.db2.gz KOKYXTGIZWJVKR-CRAIPNDOSA-N 2 0 272.436 3.583 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000651817255 1120753174 /nfs/dbraw/zinc/75/31/74/1120753174.db2.gz FMEHTHZQLNTVSU-IAGOWNOFSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709847852 1121370416 /nfs/dbraw/zinc/37/04/16/1121370416.db2.gz DCMOAVCAUOZOBQ-QGZVFWFLSA-N 2 0 266.473 3.813 20 30 CHEDRP C#CCC1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC001176381299 1121607846 /nfs/dbraw/zinc/60/78/46/1121607846.db2.gz MBQHICJYVOSYNE-UHFFFAOYSA-N 2 0 296.458 3.708 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H](CC)[C@H](C)CCC)CC1 ZINC000153009282 1129016515 /nfs/dbraw/zinc/01/65/15/1129016515.db2.gz GPMCKBFYZTWABR-WBVHZDCISA-N 2 0 266.473 3.831 20 30 CHEDRP C=C(C)CN1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421327653 1122094190 /nfs/dbraw/zinc/09/41/90/1122094190.db2.gz QQTSIIKCZRKVNO-UHFFFAOYSA-N 2 0 276.468 3.729 20 30 CHEDRP C=C(C)CN1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421330242 1122094848 /nfs/dbraw/zinc/09/48/48/1122094848.db2.gz WUWAKDFOMBISMC-UHFFFAOYSA-N 2 0 284.447 3.694 20 30 CHEDRP C#CCCCCCC[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001183065032 1122204267 /nfs/dbraw/zinc/20/42/67/1122204267.db2.gz DAWJOPAZOSPOLC-QZTJIDSGSA-N 2 0 278.484 3.622 20 30 CHEDRP C#CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001183065034 1122204921 /nfs/dbraw/zinc/20/49/21/1122204921.db2.gz DAWJOPAZOSPOLC-ZWKOTPCHSA-N 2 0 278.484 3.622 20 30 CHEDRP C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775393969 1122541826 /nfs/dbraw/zinc/54/18/26/1122541826.db2.gz CKKOALRRLFCMOC-LSDHHAIUSA-N 2 0 290.451 3.762 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccco1 ZINC000579593683 1123215501 /nfs/dbraw/zinc/21/55/01/1123215501.db2.gz DQEBOFIFQVXOKP-INIZCTEOSA-N 2 0 270.376 3.535 20 30 CHEDRP CCCCCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000863540007 1123875718 /nfs/dbraw/zinc/87/57/18/1123875718.db2.gz PKWDGJUPKVCDDW-RDJZCZTQSA-N 2 0 262.441 3.505 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000865765392 1124012595 /nfs/dbraw/zinc/01/25/95/1124012595.db2.gz SRJPDDZVDPBTKK-SOEBMCCKSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012185 1129170400 /nfs/dbraw/zinc/17/04/00/1129170400.db2.gz RUEWUZVTYNCFTE-CABCVRRESA-N 2 0 276.424 3.655 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339082049 1124481611 /nfs/dbraw/zinc/48/16/11/1124481611.db2.gz PAZRPMMYTLZJNC-ROUUACIJSA-N 2 0 291.483 3.513 20 30 CHEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019550 1131274349 /nfs/dbraw/zinc/27/43/49/1131274349.db2.gz FVRXWRZBTFKHCQ-ZWKOTPCHSA-N 2 0 298.515 3.549 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449486515 1124764522 /nfs/dbraw/zinc/76/45/22/1124764522.db2.gz SQTGPJUPYZHVBR-UHFFFAOYSA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449735476 1124855071 /nfs/dbraw/zinc/85/50/71/1124855071.db2.gz QXTZIGKHCMWKCK-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449735472 1124856233 /nfs/dbraw/zinc/85/62/33/1124856233.db2.gz QXTZIGKHCMWKCK-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C#CCCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877188487 1125018155 /nfs/dbraw/zinc/01/81/55/1125018155.db2.gz COLAGRJQWKRZJD-ZWKOTPCHSA-N 2 0 290.495 3.813 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129476 1131343627 /nfs/dbraw/zinc/34/36/27/1131343627.db2.gz FBIHHKGCFLEYBA-IRXDYDNUSA-N 2 0 296.499 3.626 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246134746 1131345270 /nfs/dbraw/zinc/34/52/70/1131345270.db2.gz NGYOPLAOOPHCBI-OWCLPIDISA-N 2 0 252.446 3.610 20 30 CHEDRP C=CCN1CCC([NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638523429 1129260844 /nfs/dbraw/zinc/26/08/44/1129260844.db2.gz BABQGMRKHBZBTG-UHFFFAOYSA-N 2 0 274.452 3.650 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000643549227 1129445361 /nfs/dbraw/zinc/44/53/61/1129445361.db2.gz VDTNFPNUCCIYFX-MANSERQUSA-N 2 0 284.447 3.672 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344369 1129571636 /nfs/dbraw/zinc/57/16/36/1129571636.db2.gz PEXGILXVWQFKQZ-QYZOEREBSA-N 2 0 286.463 3.666 20 30 CHEDRP CCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169097530 1129696953 /nfs/dbraw/zinc/69/69/53/1129696953.db2.gz BAJDFUOOEZHMBR-MUJYYYPQSA-N 2 0 252.446 3.562 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650758072 1129722029 /nfs/dbraw/zinc/72/20/29/1129722029.db2.gz ICTZQTSNYNGYJK-KRWDZBQOSA-N 2 0 260.425 3.631 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902364226 1130003454 /nfs/dbraw/zinc/00/34/54/1130003454.db2.gz QEPMBNHRBGMOCG-LRDDRELGSA-N 2 0 282.378 3.689 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234991022 1130699792 /nfs/dbraw/zinc/69/97/92/1130699792.db2.gz FPBSNGCTRCMFSV-QGZVFWFLSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995208 1130701391 /nfs/dbraw/zinc/70/13/91/1130701391.db2.gz YYDRWXZCIJHPRZ-KRWDZBQOSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235090920 1130710862 /nfs/dbraw/zinc/71/08/62/1130710862.db2.gz UAGLQJFPPSALKZ-HNNXBMFYSA-N 2 0 288.426 3.668 20 30 CHEDRP C=CCCCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233337 1130726347 /nfs/dbraw/zinc/72/63/47/1130726347.db2.gz OTLBJQQTEGZDGP-QGZVFWFLSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405493 1130739346 /nfs/dbraw/zinc/73/93/46/1130739346.db2.gz PHXARJHFUITYAC-IRXDYDNUSA-N 2 0 284.463 3.761 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429803 1130743768 /nfs/dbraw/zinc/74/37/68/1130743768.db2.gz ZWAATVYUDDITOS-IRXDYDNUSA-N 2 0 266.473 3.668 20 30 CHEDRP C=CCCCCCCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC001235472847 1130748362 /nfs/dbraw/zinc/74/83/62/1130748362.db2.gz KSPBLOPAQRFNDQ-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP CCCCCCCC[NH+]1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001237356964 1131090056 /nfs/dbraw/zinc/09/00/56/1131090056.db2.gz PUNWTVRUNMFANF-HNNXBMFYSA-N 2 0 252.446 3.550 20 30 CHEDRP CCCCCCCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817912957 1131188212 /nfs/dbraw/zinc/18/82/12/1131188212.db2.gz LHXDYTXNQMKZKT-AWEZNQCLSA-N 2 0 277.456 3.860 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C/C=C/C[NH3+] ZINC001246361571 1131486621 /nfs/dbraw/zinc/48/66/21/1131486621.db2.gz INRRXLHUSBQHTF-SCOAYWHSSA-N 2 0 254.462 3.866 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543837 1131589811 /nfs/dbraw/zinc/58/98/11/1131589811.db2.gz OECCEYAVAUQUHB-MSOLQXFVSA-N 2 0 298.515 3.691 20 30 CHEDRP C#Cc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001144576531 1131662151 /nfs/dbraw/zinc/66/21/51/1131662151.db2.gz MJFQKNWDWNQZKR-PMACEKPBSA-N 2 0 296.458 3.507 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000845928033 1131671195 /nfs/dbraw/zinc/67/11/95/1131671195.db2.gz MECJULHVLVFLJA-GDBMZVCRSA-N 2 0 264.457 3.584 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846223354 1131701375 /nfs/dbraw/zinc/70/13/75/1131701375.db2.gz PWOQLAAVNYMSPC-RCCFBDPRSA-N 2 0 296.499 3.565 20 30 CHEDRP CCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246631676 1131742981 /nfs/dbraw/zinc/74/29/81/1131742981.db2.gz SLCLEHFBCFRUTQ-SJORKVTESA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947365 1131827825 /nfs/dbraw/zinc/82/78/25/1131827825.db2.gz WXPWNODQDSFLAD-JKSUJKDBSA-N 2 0 272.452 3.888 20 30 CHEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246947625 1131829291 /nfs/dbraw/zinc/82/92/91/1131829291.db2.gz GHPDILLYJMHUOB-SJORKVTESA-N 2 0 278.484 3.974 20 30 CHEDRP C=C(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716652861 1132029263 /nfs/dbraw/zinc/02/92/63/1132029263.db2.gz UPOIKBJDAGGSTF-OTWHNJEPSA-N 2 0 284.447 3.595 20 30 CHEDRP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171620670 1132064999 /nfs/dbraw/zinc/06/49/99/1132064999.db2.gz CVNZZPWEXAWLDX-AWEZNQCLSA-N 2 0 299.462 3.860 20 30 CHEDRP CCCCCCC[C@H](CC)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001172350305 1132182869 /nfs/dbraw/zinc/18/28/69/1132182869.db2.gz MOYMSQLOLVAZKD-KRWDZBQOSA-N 2 0 298.515 3.955 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172504071 1132252941 /nfs/dbraw/zinc/25/29/41/1132252941.db2.gz CMEFGVVIDCUUDH-OWCLPIDISA-N 2 0 254.462 3.985 20 30 CHEDRP CCC(CC)[N@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488699 1132245989 /nfs/dbraw/zinc/24/59/89/1132245989.db2.gz VTJOXTDHDIZAJL-ZOBUZTSGSA-N 2 0 279.472 3.829 20 30 CHEDRP C[NH+]1C(C)(C)CC([NH2+]C2CCC(C)(C#N)CC2)CC1(C)C ZINC001173588480 1132495588 /nfs/dbraw/zinc/49/55/88/1132495588.db2.gz IRESNWHMGCMFSG-UHFFFAOYSA-N 2 0 291.483 3.700 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](CC)CCC[NH+](C)C)CC1 ZINC001208178078 1133898054 /nfs/dbraw/zinc/89/80/54/1133898054.db2.gz JROAHGGCEQAFDZ-QGZVFWFLSA-N 2 0 264.457 3.563 20 30 CHEDRP C=CC[N@@H+](CC1CC[NH+](CC)CC1)C1CCCCC1 ZINC001208602349 1133918221 /nfs/dbraw/zinc/91/82/21/1133918221.db2.gz CPXHIJLGNDNQQU-UHFFFAOYSA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209163695 1133982728 /nfs/dbraw/zinc/98/27/28/1133982728.db2.gz HQCZHWQKZHCKID-HXUWFJFHSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209427185 1134016143 /nfs/dbraw/zinc/01/61/43/1134016143.db2.gz JBQJGRACEYIFBZ-BGYRXZFFSA-N 2 0 298.474 3.797 20 30 CHEDRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000020143232 262231425 /nfs/dbraw/zinc/23/14/25/262231425.db2.gz GVCYYKZEIFXYST-CYBMUJFWSA-N 2 0 285.435 3.518 20 30 CHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815127 263053585 /nfs/dbraw/zinc/05/35/85/263053585.db2.gz WVYJEMWXWXVSMA-OAHLLOKOSA-N 2 0 296.414 3.561 20 30 CHEDRP CC(C)[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCCCC1 ZINC000343283471 264351804 /nfs/dbraw/zinc/35/18/04/264351804.db2.gz KCVPBBMGCZJLHI-QGZVFWFLSA-N 2 0 293.499 3.807 20 30 CHEDRP CC[NH+](CC)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360819035 266744644 /nfs/dbraw/zinc/74/46/44/266744644.db2.gz GTNUPSLSYNQFIE-IBGZPJMESA-N 2 0 299.462 3.647 20 30 CHEDRP C=CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571218258 328092716 /nfs/dbraw/zinc/09/27/16/328092716.db2.gz XHJDRKXUSPEWQI-UHFFFAOYSA-N 2 0 292.426 3.521 20 30 CHEDRP C=CCOc1cccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414802943 328231444 /nfs/dbraw/zinc/23/14/44/328231444.db2.gz CCOSTYXJKKWBAZ-OAHLLOKOSA-N 2 0 296.414 3.561 20 30 CHEDRP C=CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000582610477 329116408 /nfs/dbraw/zinc/11/64/08/329116408.db2.gz XRXDXZWPYSQNIL-MRXNPFEDSA-N 2 0 292.492 3.776 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccco1 ZINC000421892451 330104467 /nfs/dbraw/zinc/10/44/67/330104467.db2.gz ZHGUWQWXECHRED-GPANFISMSA-N 2 0 276.424 3.749 20 30 CHEDRP C=C(C)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049957 330166967 /nfs/dbraw/zinc/16/69/67/330166967.db2.gz KNAKQIDSUZTQOP-BLLLJJGKSA-N 2 0 282.378 3.689 20 30 CHEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000423129787 330171618 /nfs/dbraw/zinc/17/16/18/330171618.db2.gz MGEGVZXLGWYZDN-WBVHZDCISA-N 2 0 273.424 3.529 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423174709 330174797 /nfs/dbraw/zinc/17/47/97/330174797.db2.gz CNQNDYIFAAJZHM-AHRSYUTCSA-N 2 0 292.426 3.908 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423291734 330187462 /nfs/dbraw/zinc/18/74/62/330187462.db2.gz JQDGKMPXRPKMPF-YOEHRIQHSA-N 2 0 260.425 3.931 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292921 330187649 /nfs/dbraw/zinc/18/76/49/330187649.db2.gz OYYLXIFMNLDXOX-CABCVRRESA-N 2 0 260.425 3.931 20 30 CHEDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499420 330208052 /nfs/dbraw/zinc/20/80/52/330208052.db2.gz AWTPFUXXTIUFLF-DNVCBOLYSA-N 2 0 293.414 3.689 20 30 CHEDRP C=CCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423503710 330208475 /nfs/dbraw/zinc/20/84/75/330208475.db2.gz NATXLCSXRZLKSX-IRXDYDNUSA-N 2 0 260.425 3.801 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000449332668 330915337 /nfs/dbraw/zinc/91/53/37/330915337.db2.gz DQWLXGJZAIWORK-HNNXBMFYSA-N 2 0 284.513 3.538 20 30 CHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)CC#N)CC2)C1 ZINC000459726308 331296045 /nfs/dbraw/zinc/29/60/45/331296045.db2.gz DXPZGFFAFVSLJB-WBVHZDCISA-N 2 0 291.483 3.559 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152454 331825540 /nfs/dbraw/zinc/82/55/40/331825540.db2.gz RCGNWRCMWLJNND-DLBZAZTESA-N 2 0 293.499 3.807 20 30 CHEDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000174076963 335147637 /nfs/dbraw/zinc/14/76/37/335147637.db2.gz CPZVOKGWJDSGNH-KRWDZBQOSA-N 2 0 299.462 3.865 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000245896688 334223109 /nfs/dbraw/zinc/22/31/09/334223109.db2.gz NEWIUGVUFIALQE-IAGOWNOFSA-N 2 0 299.462 3.863 20 30 CHEDRP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000278330181 522561303 /nfs/dbraw/zinc/56/13/03/522561303.db2.gz WAWNQPWRFJWHHJ-KRWDZBQOSA-N 2 0 299.462 3.908 20 30 CHEDRP C=CCCCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000187694836 1117851284 /nfs/dbraw/zinc/85/12/84/1117851284.db2.gz KQNPEHBZCOKKBK-UHFFFAOYSA-N 2 0 252.446 3.539 20 30 CHEDRP CCCCCCC[C@H](C)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247016790 1131842692 /nfs/dbraw/zinc/84/26/92/1131842692.db2.gz XWXBTPMKBDLDMJ-BBWFWOEESA-N 2 0 266.473 3.809 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000174256450 1126767918 /nfs/dbraw/zinc/76/79/18/1126767918.db2.gz JPMKNBCXZZXIPA-UHFFFAOYSA-N 2 0 299.462 3.702 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668435226 1126885628 /nfs/dbraw/zinc/88/56/28/1126885628.db2.gz AKZYQIBMPWUBBT-APWZRJJASA-N 2 0 299.462 3.775 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](C)C1CC[NH2+]CC1 ZINC001235473180 1130748622 /nfs/dbraw/zinc/74/86/22/1130748622.db2.gz MQRIIDVLPDQCFO-MDZDMXLPSA-N 2 0 252.446 3.587 20 30 CHEDRP C=C[C@@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@H]1C=C ZINC000489437274 1127104044 /nfs/dbraw/zinc/10/40/44/1127104044.db2.gz NUOKIHNIAUYHJE-AQRBRUGDSA-N 2 0 274.452 3.624 20 30 CHEDRP CC[N@H+](CCC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000593660985 1127393779 /nfs/dbraw/zinc/39/37/79/1127393779.db2.gz VEXRWUFWBQVOCR-DLBZAZTESA-N 2 0 291.483 3.703 20 30 CHEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602459959 1127582195 /nfs/dbraw/zinc/58/21/95/1127582195.db2.gz PHVDYVLBWKTULX-MSOLQXFVSA-N 2 0 291.483 3.514 20 30 CHEDRP CC[N@H+](CCC[NH2+]C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602699235 1127605699 /nfs/dbraw/zinc/60/56/99/1127605699.db2.gz OCCDHZNUTUPOIX-INIZCTEOSA-N 2 0 279.472 3.561 20 30 CHEDRP C=CCCC[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000540338402 1127976183 /nfs/dbraw/zinc/97/61/83/1127976183.db2.gz RCTGCWRLIQACHF-INIZCTEOSA-N 2 0 266.473 3.783 20 30 CHEDRP N#CC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925705845 1128137428 /nfs/dbraw/zinc/13/74/28/1128137428.db2.gz IPNQWYMSZCGJEG-KRWDZBQOSA-N 2 0 285.435 3.530 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926890353 1128200372 /nfs/dbraw/zinc/20/03/72/1128200372.db2.gz UKMZBXTWEAOJOP-HJOIGYKYSA-N 2 0 291.483 3.701 20 30 CHEDRP CCCCCCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172361 1128311647 /nfs/dbraw/zinc/31/16/47/1128311647.db2.gz MATRZARJJNZMJS-MRXNPFEDSA-N 2 0 252.446 3.565 20 30 CHEDRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000572708173 1128647030 /nfs/dbraw/zinc/64/70/30/1128647030.db2.gz WRNODFJFJZSGDF-APWZRJJASA-N 2 0 299.462 3.721 20 30 CHEDRP CCCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000115089828 1117939371 /nfs/dbraw/zinc/93/93/71/1117939371.db2.gz LUBVGUPADJBYRI-ALOPSCKCSA-N 2 0 266.473 3.952 20 30 CHEDRP C=CCC[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000542666302 1118213621 /nfs/dbraw/zinc/21/36/21/1118213621.db2.gz XHAKNGPFQCUWIF-INIZCTEOSA-N 2 0 274.452 3.971 20 30 CHEDRP C=CCC[NH+](C)Cc1ccccc1C[N@H+](C)CCC=C ZINC000342722565 1119142195 /nfs/dbraw/zinc/14/21/95/1119142195.db2.gz NWNKXSYRNUBZBK-UHFFFAOYSA-N 2 0 272.436 3.702 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986669 1119285823 /nfs/dbraw/zinc/28/58/23/1119285823.db2.gz IBTXKSAOEAQJHJ-CVEARBPZSA-N 2 0 254.462 3.654 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163473580 1119580686 /nfs/dbraw/zinc/58/06/86/1119580686.db2.gz PUTRZXBMIWDHSK-HRCADAONSA-N 2 0 254.462 3.652 20 30 CHEDRP C=CCCC1(C[NH2+]C2CC[NH+](CC)CC2)CCCC1 ZINC000658096778 1121158977 /nfs/dbraw/zinc/15/89/77/1121158977.db2.gz UDEHFLKBILKCID-UHFFFAOYSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696203 1122483437 /nfs/dbraw/zinc/48/34/37/1122483437.db2.gz UMYGNMYWSSVFJA-INIZCTEOSA-N 2 0 290.476 3.658 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205605283 1122656612 /nfs/dbraw/zinc/65/66/12/1122656612.db2.gz ZSHXCBBIDVFHEA-IRXDYDNUSA-N 2 0 266.473 3.820 20 30 CHEDRP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965499 1122811595 /nfs/dbraw/zinc/81/15/95/1122811595.db2.gz IBHVISCMDWGKTF-AYHJJNSGSA-N 2 0 278.484 3.952 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446889425 1124127495 /nfs/dbraw/zinc/12/74/95/1124127495.db2.gz WXBGOFWQCHHMPM-INIZCTEOSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001245983747 1131265284 /nfs/dbraw/zinc/26/52/84/1131265284.db2.gz OLBCXSZXPMZICS-SQNIBIBYSA-N 2 0 298.515 3.608 20 30 CHEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000526941596 1124531065 /nfs/dbraw/zinc/53/10/65/1124531065.db2.gz DIZZBLZWBVZTRA-INIZCTEOSA-N 2 0 299.462 3.671 20 30 CHEDRP C=C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449192880 1124663976 /nfs/dbraw/zinc/66/39/76/1124663976.db2.gz RSMTYUQIZYBPAC-AWEZNQCLSA-N 2 0 266.473 3.830 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246110260 1131330138 /nfs/dbraw/zinc/33/01/38/1131330138.db2.gz HXCCPAOMAICWRQ-HZPDHXFCSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC001246139748 1131350995 /nfs/dbraw/zinc/35/09/95/1131350995.db2.gz WJXMSHMDLLFRHW-HZPDHXFCSA-N 2 0 266.473 3.857 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H]([NH3+])CC1 ZINC001246153992 1131362441 /nfs/dbraw/zinc/36/24/41/1131362441.db2.gz OWPPUXGCAPDCGX-BZUAXINKSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000740876815 1129423047 /nfs/dbraw/zinc/42/30/47/1129423047.db2.gz HSWXSAQXBDPVAR-UHFFFAOYSA-N 2 0 254.462 3.809 20 30 CHEDRP CCCCCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000741248709 1129432604 /nfs/dbraw/zinc/43/26/04/1129432604.db2.gz BEVMEXNDQNQVBY-MRXNPFEDSA-N 2 0 254.462 3.621 20 30 CHEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343807 1129572287 /nfs/dbraw/zinc/57/22/87/1129572287.db2.gz CNELVDGTJULOPW-DKKFBQAASA-N 2 0 286.463 3.522 20 30 CHEDRP CCCCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140671 1129703922 /nfs/dbraw/zinc/70/39/22/1129703922.db2.gz LGOKOQDNYPLIFY-MUJYYYPQSA-N 2 0 252.446 3.514 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678769131 1130452008 /nfs/dbraw/zinc/45/20/08/1130452008.db2.gz LOYWLDJMIXBSDZ-JXFKEZNVSA-N 2 0 298.474 3.940 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000793526291 1130563192 /nfs/dbraw/zinc/56/31/92/1130563192.db2.gz XROAAFFPGIHGLI-INIZCTEOSA-N 2 0 278.484 3.975 20 30 CHEDRP CCCCCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233894 1130726342 /nfs/dbraw/zinc/72/63/42/1130726342.db2.gz UZHAVORFRHYFSO-KRWDZBQOSA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCC[N@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235661921 1130762932 /nfs/dbraw/zinc/76/29/32/1130762932.db2.gz AJAQYWLNKIZRJA-UHFFFAOYSA-N 2 0 266.473 3.668 20 30 CHEDRP N#CCC[N@@H+](Cc1cccc(C[NH3+])c1)C1CCCCCCC1 ZINC001235664846 1130764105 /nfs/dbraw/zinc/76/41/05/1130764105.db2.gz YIKNXVDPXVVHMZ-UHFFFAOYSA-N 2 0 299.462 3.974 20 30 CHEDRP C=CCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC001235703051 1130772209 /nfs/dbraw/zinc/77/22/09/1130772209.db2.gz PJKFHJUIHYHNSP-UHFFFAOYSA-N 2 0 260.425 3.584 20 30 CHEDRP C=CCCCCCCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950781 1130814759 /nfs/dbraw/zinc/81/47/59/1130814759.db2.gz MRCLUUJVLPTIRP-KRWDZBQOSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCC[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC001236084949 1130853252 /nfs/dbraw/zinc/85/32/52/1130853252.db2.gz HOYBEDLTBSACSH-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP CCCCCCCCCC[N@H+](C)CC12CC([NH3+])(C1)C2 ZINC001236423652 1130937169 /nfs/dbraw/zinc/93/71/69/1130937169.db2.gz OUUQFJASLTXYMG-UHFFFAOYSA-N 2 0 266.473 3.940 20 30 CHEDRP C=CC[N@H+](Cc1cc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC001236434969 1130941266 /nfs/dbraw/zinc/94/12/66/1130941266.db2.gz ZPDODBHHRXYHBZ-UHFFFAOYSA-N 2 0 290.476 3.715 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001237357302 1131090973 /nfs/dbraw/zinc/09/09/73/1131090973.db2.gz SAFVMRKGAZUNNV-INIZCTEOSA-N 2 0 266.473 3.940 20 30 CHEDRP C=CCCCCCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817930778 1131187697 /nfs/dbraw/zinc/18/76/97/1131187697.db2.gz GJSCMLIMZGGKJN-CQSZACIVSA-N 2 0 275.440 3.636 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985328 1131195696 /nfs/dbraw/zinc/19/56/96/1131195696.db2.gz IYTISYMRUIAFJR-JKSUJKDBSA-N 2 0 264.457 3.776 20 30 CHEDRP CCCCCCCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246239831 1131426450 /nfs/dbraw/zinc/42/64/50/1131426450.db2.gz KFZKPDZAOZAQBZ-SJORKVTESA-N 2 0 266.473 3.859 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246316809 1131465310 /nfs/dbraw/zinc/46/53/10/1131465310.db2.gz IUESZVXPFNEHLM-JONQDZQNSA-N 2 0 252.446 3.608 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+]C12CC([NH3+])(C1)C2 ZINC001246507539 1131534413 /nfs/dbraw/zinc/53/44/13/1131534413.db2.gz YEOZROOFWDOTST-KLAILNCOSA-N 2 0 266.473 3.985 20 30 CHEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541933 1131582589 /nfs/dbraw/zinc/58/25/89/1131582589.db2.gz HTYXSJLVIWLHLZ-QZTJIDSGSA-N 2 0 298.515 3.691 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543839 1131590894 /nfs/dbraw/zinc/59/08/94/1131590894.db2.gz OECCEYAVAUQUHB-QZTJIDSGSA-N 2 0 298.515 3.691 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938336 1131609662 /nfs/dbraw/zinc/60/96/62/1131609662.db2.gz GPVHSCHGCWDHJG-RNQOJCNYSA-N 2 0 298.474 3.666 20 30 CHEDRP CCCCCCC[C@H](C)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247016794 1131842139 /nfs/dbraw/zinc/84/21/39/1131842139.db2.gz XWXBTPMKBDLDMJ-YESZJQIVSA-N 2 0 266.473 3.809 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716718473 1132029994 /nfs/dbraw/zinc/02/99/94/1132029994.db2.gz ONHYGIVJFIOLQE-WNHJNPCNSA-N 2 0 284.447 3.594 20 30 CHEDRP CCCCCCCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172245626 1132151335 /nfs/dbraw/zinc/15/13/35/1132151335.db2.gz ZBPUIABJVOKWSV-UHFFFAOYSA-N 2 0 298.515 3.828 20 30 CHEDRP C[NH+](C)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC001173584757 1132495837 /nfs/dbraw/zinc/49/58/37/1132495837.db2.gz KHAUSOAPMFFSEQ-XBMUEBEBSA-N 2 0 299.462 3.741 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545600 1133587091 /nfs/dbraw/zinc/58/70/91/1133587091.db2.gz JYZKHEMCZZBUEW-MRXNPFEDSA-N 2 0 270.436 3.666 20 30 CHEDRP C=CCCCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206750118 1133741022 /nfs/dbraw/zinc/74/10/22/1133741022.db2.gz VVHMJKBDDDGGBG-UHFFFAOYSA-N 2 0 286.463 3.725 20 30 CHEDRP CCCCCCC[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208107671 1133876285 /nfs/dbraw/zinc/87/62/85/1133876285.db2.gz XVTLFTKQXOGJCT-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001208166461 1133893452 /nfs/dbraw/zinc/89/34/52/1133893452.db2.gz AQXDKFDRMIBNDQ-GOSISDBHSA-N 2 0 297.446 3.506 20 30 CHEDRP C=CCCCCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209443196 1134022394 /nfs/dbraw/zinc/02/23/94/1134022394.db2.gz OTIXBQBAUGMQPI-MSOLQXFVSA-N 2 0 278.484 3.787 20 30 CHEDRP CCCCCCCCCC[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001222209229 1135207892 /nfs/dbraw/zinc/20/78/92/1135207892.db2.gz ZYEGRPDAEGATGJ-UHFFFAOYSA-N 2 0 296.499 3.582 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265458 1135216555 /nfs/dbraw/zinc/21/65/55/1135216555.db2.gz TYJGFTZAMUAIGK-SFHVURJKSA-N 2 0 278.484 3.979 20 30 CHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000181512505 261899646 /nfs/dbraw/zinc/89/96/46/261899646.db2.gz WBAQLNDCTAFZJD-QGZVFWFLSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815125 263053578 /nfs/dbraw/zinc/05/35/78/263053578.db2.gz WVYJEMWXWXVSMA-HNNXBMFYSA-N 2 0 296.414 3.561 20 30 CHEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000415010212 263241845 /nfs/dbraw/zinc/24/18/45/263241845.db2.gz GBQNPJVRPNTNHU-ZDUSSCGKSA-N 2 0 296.842 3.512 20 30 CHEDRP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC)CC1 ZINC000414294815 328154161 /nfs/dbraw/zinc/15/41/61/328154161.db2.gz DXIJIEVFDAVBBO-IBGZPJMESA-N 2 0 286.463 3.638 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000174323128 329157341 /nfs/dbraw/zinc/15/73/41/329157341.db2.gz LUMHVQUILOYOED-UHFFFAOYSA-N 2 0 291.483 3.561 20 30 CHEDRP C=C(C)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000508963156 332852927 /nfs/dbraw/zinc/85/29/27/332852927.db2.gz LVDTYHIXCFDCOO-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379659000 330146196 /nfs/dbraw/zinc/14/61/96/330146196.db2.gz XZWZLMWQMCTDJI-FUHWJXTLSA-N 2 0 272.436 3.595 20 30 CHEDRP C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379659002 330146247 /nfs/dbraw/zinc/14/62/47/330146247.db2.gz XZWZLMWQMCTDJI-WMZOPIPTSA-N 2 0 272.436 3.595 20 30 CHEDRP C=C(C)[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049958 330166955 /nfs/dbraw/zinc/16/69/55/330166955.db2.gz KNAKQIDSUZTQOP-LRDDRELGSA-N 2 0 282.378 3.689 20 30 CHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423185347 330175707 /nfs/dbraw/zinc/17/57/07/330175707.db2.gz VHAXCTBYWURNSI-SFHVURJKSA-N 2 0 297.446 3.577 20 30 CHEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000119656533 330378167 /nfs/dbraw/zinc/37/81/67/330378167.db2.gz POTQSKYZACELRR-IAGOWNOFSA-N 2 0 291.483 3.513 20 30 CHEDRP C=CC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449151720 330901922 /nfs/dbraw/zinc/90/19/22/330901922.db2.gz YHIOIYAOSIOKRX-DLBZAZTESA-N 2 0 286.463 3.636 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000467404091 331417698 /nfs/dbraw/zinc/41/76/98/331417698.db2.gz JFHAKKSGGFXKPY-RYRKJORJSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000193442292 333250219 /nfs/dbraw/zinc/25/02/19/333250219.db2.gz NMZDLACYLKVDEN-SJLPKXTDSA-N 2 0 276.468 3.682 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000245842645 334221252 /nfs/dbraw/zinc/22/12/52/334221252.db2.gz DWPYRIXZAYGNAV-IAGOWNOFSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249437275 334334018 /nfs/dbraw/zinc/33/40/18/334334018.db2.gz SKJPTEPPOXYESW-DZFIZOCASA-N 2 0 286.463 3.699 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC001648920613 1119595547 /nfs/dbraw/zinc/59/55/47/1119595547.db2.gz DMEGHMQMHGYLDF-ZACQAIPSSA-N 2 0 278.484 3.831 20 30 CHEDRP C=C(Cl)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000773737414 1121777925 /nfs/dbraw/zinc/77/79/25/1121777925.db2.gz SPFKACUXLNHTJI-UHFFFAOYSA-N 2 0 286.891 3.819 20 30 CHEDRP C=CCC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000449602189 1124820340 /nfs/dbraw/zinc/82/03/40/1124820340.db2.gz CGPYIYCUOPULHH-UHFFFAOYSA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(CC)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485495873 1126921251 /nfs/dbraw/zinc/92/12/51/1126921251.db2.gz SUMWBEQEOIMMLU-UHFFFAOYSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236065664 1130845609 /nfs/dbraw/zinc/84/56/09/1130845609.db2.gz CGEOCDMPRWYRJA-KRWDZBQOSA-N 2 0 266.473 3.835 20 30 CHEDRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360831514 1127513442 /nfs/dbraw/zinc/51/34/42/1127513442.db2.gz FLAYOCDLTRVRNI-IBGZPJMESA-N 2 0 299.462 3.646 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000602617782 1127597354 /nfs/dbraw/zinc/59/73/54/1127597354.db2.gz AGEDDDHILHOAPD-INIZCTEOSA-N 2 0 279.472 3.561 20 30 CHEDRP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000605186656 1127731348 /nfs/dbraw/zinc/73/13/48/1127731348.db2.gz AJQWGLPVYRVCAG-QGZVFWFLSA-N 2 0 264.457 3.541 20 30 CHEDRP C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926357598 1128169501 /nfs/dbraw/zinc/16/95/01/1128169501.db2.gz YFJCTDQNQRDURR-KLAILNCOSA-N 2 0 299.462 3.729 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000929779754 1128287517 /nfs/dbraw/zinc/28/75/17/1128287517.db2.gz IJTQFSTXHDRZSE-IRXDYDNUSA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152273 1128305632 /nfs/dbraw/zinc/30/56/32/1128305632.db2.gz LUYJSCNAIBXSMU-GOSISDBHSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCC[N@H+](CCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032718 1128344761 /nfs/dbraw/zinc/34/47/61/1128344761.db2.gz MJESTTSJQACNCB-UHFFFAOYSA-N 2 0 279.472 3.701 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000568979444 1128595110 /nfs/dbraw/zinc/59/51/10/1128595110.db2.gz MPGJFACGZWIZQH-MRXNPFEDSA-N 2 0 274.452 3.973 20 30 CHEDRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447599813 1118463332 /nfs/dbraw/zinc/46/33/32/1118463332.db2.gz YVLFXRXMRHEJFS-GOSISDBHSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCC[NH+](C)Cc1cccc(C[N@H+](C)CCC=C)c1 ZINC000342731799 1119147800 /nfs/dbraw/zinc/14/78/00/1119147800.db2.gz BVMRBFRQHGUTOQ-UHFFFAOYSA-N 2 0 272.436 3.702 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545271819 1119833262 /nfs/dbraw/zinc/83/32/62/1119833262.db2.gz KMYRWSRXGSQKEC-WDSOQIARSA-N 2 0 286.463 3.841 20 30 CHEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000765927386 1120210734 /nfs/dbraw/zinc/21/07/34/1120210734.db2.gz RNAIPIBNWSPLEK-ZWKOTPCHSA-N 2 0 291.483 3.705 20 30 CHEDRP C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543462079 1120528517 /nfs/dbraw/zinc/52/85/17/1120528517.db2.gz WJHPDZCPBQNOAT-GVDBMIGSSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308761 1120533520 /nfs/dbraw/zinc/53/35/20/1120533520.db2.gz MFEXIJXSZDMQJH-QGZVFWFLSA-N 2 0 264.457 3.731 20 30 CHEDRP CC1(C)C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925679165 1120569925 /nfs/dbraw/zinc/56/99/25/1120569925.db2.gz YQZJYVYEPPDTRU-SQNIBIBYSA-N 2 0 299.462 3.917 20 30 CHEDRP C=CC[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662252298 1120911953 /nfs/dbraw/zinc/91/19/53/1120911953.db2.gz OWPICLZXMOUROH-UHFFFAOYSA-N 2 0 292.426 3.521 20 30 CHEDRP C=C(C)CC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063314 1121593585 /nfs/dbraw/zinc/59/35/85/1121593585.db2.gz ZDNOHDJVBVUSJU-UHFFFAOYSA-N 2 0 260.425 3.536 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379895 1129034229 /nfs/dbraw/zinc/03/42/29/1129034229.db2.gz DLNHWEDGTNIQAG-IAGOWNOFSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCCN1CCc2ccccc2C1)C1CC1 ZINC000439085625 1122751566 /nfs/dbraw/zinc/75/15/66/1122751566.db2.gz NKIIPQSCLLWFKK-HXUWFJFHSA-N 2 0 298.474 3.769 20 30 CHEDRP C#C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001195567986 1122878460 /nfs/dbraw/zinc/87/84/60/1122878460.db2.gz NUVIBFSNFBWHCI-SFHVURJKSA-N 2 0 296.458 3.518 20 30 CHEDRP C=C(C)C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011314 1123270696 /nfs/dbraw/zinc/27/06/96/1123270696.db2.gz NOHWOBJWQJTSPI-HOTGVXAUSA-N 2 0 272.436 3.594 20 30 CHEDRP C[C@@H]1CC([NH2+]CCCCC#N)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168013662 1123308573 /nfs/dbraw/zinc/30/85/73/1123308573.db2.gz IIPWEJSBYACUAD-IAGOWNOFSA-N 2 0 299.462 3.711 20 30 CHEDRP C=CCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015547 1123378902 /nfs/dbraw/zinc/37/89/02/1123378902.db2.gz RKLVNJLFKVMDQD-HOTGVXAUSA-N 2 0 272.436 3.594 20 30 CHEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000157058153 1129120866 /nfs/dbraw/zinc/12/08/66/1129120866.db2.gz UHQDXJMYAYYGOK-FUHWJXTLSA-N 2 0 272.436 3.547 20 30 CHEDRP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301360986 1123895402 /nfs/dbraw/zinc/89/54/02/1123895402.db2.gz AKPAPTFNCQFGPD-UHFFFAOYSA-N 2 0 281.403 3.606 20 30 CHEDRP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000301654403 1123921199 /nfs/dbraw/zinc/92/11/99/1123921199.db2.gz HMHSETWBYILSQX-UHFFFAOYSA-N 2 0 299.393 3.745 20 30 CHEDRP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012191 1129170510 /nfs/dbraw/zinc/17/05/10/1129170510.db2.gz RUEWUZVTYNCFTE-GJZGRUSLSA-N 2 0 276.424 3.655 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339082050 1124482362 /nfs/dbraw/zinc/48/23/62/1124482362.db2.gz PAZRPMMYTLZJNC-ZWKOTPCHSA-N 2 0 291.483 3.513 20 30 CHEDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511216 1124482727 /nfs/dbraw/zinc/48/27/27/1124482727.db2.gz SKPFORGXKYGIAD-VQIMIIECSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000448022632 1124555430 /nfs/dbraw/zinc/55/54/30/1124555430.db2.gz OYMIVPVHVBLTKQ-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000448022631 1124555950 /nfs/dbraw/zinc/55/59/50/1124555950.db2.gz OYMIVPVHVBLTKQ-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390894354 1125115973 /nfs/dbraw/zinc/11/59/73/1125115973.db2.gz JCWSKPKJTRNCMF-GOSISDBHSA-N 2 0 286.463 3.843 20 30 CHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000530714326 1125173746 /nfs/dbraw/zinc/17/37/46/1125173746.db2.gz DVQVFHVYUJGCEL-MOPGFXCFSA-N 2 0 299.462 3.548 20 30 CHEDRP CCCCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001246135264 1131345067 /nfs/dbraw/zinc/34/50/67/1131345067.db2.gz RJYXNJKZSQPLEM-QZWWFDLISA-N 2 0 266.473 3.856 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001246132906 1131346531 /nfs/dbraw/zinc/34/65/31/1131346531.db2.gz FVPYQGINBQYNRN-MWDXBVQZSA-N 2 0 266.473 3.571 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC001246139747 1131350414 /nfs/dbraw/zinc/35/04/14/1131350414.db2.gz WJXMSHMDLLFRHW-HOTGVXAUSA-N 2 0 266.473 3.857 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000103028045 1129683872 /nfs/dbraw/zinc/68/38/72/1129683872.db2.gz NQTULGVNJSFIGW-JKSUJKDBSA-N 2 0 266.473 3.809 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753290 1129721445 /nfs/dbraw/zinc/72/14/45/1129721445.db2.gz KSBOXXOZVXHRLX-HNNXBMFYSA-N 2 0 264.388 3.509 20 30 CHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 ZINC001169568471 1129738170 /nfs/dbraw/zinc/73/81/70/1129738170.db2.gz AJNCJBCMCQYIPI-IEBWSBKVSA-N 2 0 299.462 3.564 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000378663214 1130246824 /nfs/dbraw/zinc/24/68/24/1130246824.db2.gz DAVNTPHRIHRLSR-INIZCTEOSA-N 2 0 254.462 3.940 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031654 1130702974 /nfs/dbraw/zinc/70/29/74/1130702974.db2.gz NBLMQUSKGWFJJE-GOSISDBHSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249220 1130727693 /nfs/dbraw/zinc/72/76/93/1130727693.db2.gz MNOSEAXBMPDCPV-WOJBJXKFSA-N 2 0 298.474 3.954 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424771 1130741305 /nfs/dbraw/zinc/74/13/05/1130741305.db2.gz JOPWJXVPJGZGLN-ROUUACIJSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCCCCCCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC001235473202 1130748455 /nfs/dbraw/zinc/74/84/55/1130748455.db2.gz MXLQLWPJSBFJAH-UHFFFAOYSA-N 2 0 266.473 3.977 20 30 CHEDRP C=CCCCCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235883783 1130792930 /nfs/dbraw/zinc/79/29/30/1130792930.db2.gz OQNFIPXMQBWQSX-QGZVFWFLSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCCCC[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235936695 1130810719 /nfs/dbraw/zinc/81/07/19/1130810719.db2.gz UWFMYPYMDNNRFE-UHFFFAOYSA-N 2 0 298.515 3.828 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236044075 1130837379 /nfs/dbraw/zinc/83/73/79/1130837379.db2.gz JAQMYGFMDAUBEU-HZPDHXFCSA-N 2 0 252.446 3.572 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](CCC)C2CC[NH2+]CC2)CC1 ZINC001236180739 1130880192 /nfs/dbraw/zinc/88/01/92/1130880192.db2.gz NLWDFTYBMFSXQV-QGZVFWFLSA-N 2 0 276.468 3.753 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236224365 1130894344 /nfs/dbraw/zinc/89/43/44/1130894344.db2.gz UCMCEVFPDJJTCB-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP CCCCCCCCC[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236407142 1130931321 /nfs/dbraw/zinc/93/13/21/1130931321.db2.gz BZLHGXHVPSOLNL-INIZCTEOSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCCCCCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409192 1130931870 /nfs/dbraw/zinc/93/18/70/1130931870.db2.gz YKWXFYCWLBLRKG-QGZVFWFLSA-N 2 0 266.473 3.835 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC001246249286 1131430750 /nfs/dbraw/zinc/43/07/50/1131430750.db2.gz IVBMJSFRLYZQBU-HUUCEWRRSA-N 2 0 254.462 3.713 20 30 CHEDRP C#CCCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000823949715 1131447115 /nfs/dbraw/zinc/44/71/15/1131447115.db2.gz RJTSMYXUMPJELA-UHFFFAOYSA-N 2 0 278.484 3.669 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CCO[C@H]1CC[NH2+]C1 ZINC001246365821 1131488514 /nfs/dbraw/zinc/48/85/14/1131488514.db2.gz GVBHCQKBWLZHSF-ROUUACIJSA-N 2 0 298.515 3.730 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246478498 1131522036 /nfs/dbraw/zinc/52/20/36/1131522036.db2.gz OOTLUZCXHHXHEM-XHSDSOJGSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535473 1131573574 /nfs/dbraw/zinc/57/35/74/1131573574.db2.gz MHDLDFIYOQBLJF-DLBZAZTESA-N 2 0 284.488 3.565 20 30 CHEDRP C=CC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246947624 1131829841 /nfs/dbraw/zinc/82/98/41/1131829841.db2.gz GHPDILLYJMHUOB-IRXDYDNUSA-N 2 0 278.484 3.974 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484649 1132231367 /nfs/dbraw/zinc/23/13/67/1132231367.db2.gz BENIVUFAUZPYRZ-BHIYHBOVSA-N 2 0 299.462 3.841 20 30 CHEDRP CCC(CC)[N@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488695 1132246105 /nfs/dbraw/zinc/24/61/05/1132246105.db2.gz VTJOXTDHDIZAJL-BFYDXBDKSA-N 2 0 279.472 3.829 20 30 CHEDRP C#CC1([NH2+]C2CCC([NH+](CC)CC)CC2)CCCCC1 ZINC001173109379 1132391941 /nfs/dbraw/zinc/39/19/41/1132391941.db2.gz DKBNECOFGYETLU-UHFFFAOYSA-N 2 0 276.468 3.565 20 30 CHEDRP CCCCCCCC[C@H](CCC)NC(=[NH2+])NCCCC[NH3+] ZINC001173310086 1132450360 /nfs/dbraw/zinc/45/03/60/1132450360.db2.gz PGDOVFYSPFCDDO-INIZCTEOSA-N 2 0 298.519 3.759 20 30 CHEDRP C=CCOC1CCC([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001173315459 1132476261 /nfs/dbraw/zinc/47/62/61/1132476261.db2.gz NIWSUZKCBNTRLU-AOCRQIFASA-N 2 0 296.499 3.600 20 30 CHEDRP CC1(C)C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173588605 1132495215 /nfs/dbraw/zinc/49/52/15/1132495215.db2.gz GOTDKLPBHMZMQX-XPJGSDBHSA-N 2 0 291.483 3.592 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981425 1133636975 /nfs/dbraw/zinc/63/69/75/1133636975.db2.gz CBMLAFSVKYJPMA-SJORKVTESA-N 2 0 266.473 3.820 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606284 1133727187 /nfs/dbraw/zinc/72/71/87/1133727187.db2.gz JBRHECFOAICFCJ-QGZVFWFLSA-N 2 0 266.473 3.964 20 30 CHEDRP C=CC[N@@H+](CCC1CC[NH+](C)CC1)C1CCCCC1 ZINC001207489328 1133806176 /nfs/dbraw/zinc/80/61/76/1133806176.db2.gz ZDZVOXLAVRTXES-UHFFFAOYSA-N 2 0 264.457 3.539 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC001208177195 1133898683 /nfs/dbraw/zinc/89/86/83/1133898683.db2.gz PWDACSLEMVMLLO-GOSISDBHSA-N 2 0 276.468 3.563 20 30 CHEDRP C=CCCCCCCN1CCC([N@H+](C)C2CC2)CC1 ZINC001209440515 1134020179 /nfs/dbraw/zinc/02/01/79/1134020179.db2.gz LRVNCDSBZGSYET-UHFFFAOYSA-N 2 0 264.457 3.682 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181742 1135205284 /nfs/dbraw/zinc/20/52/84/1135205284.db2.gz XJOLCZZDUWVFKQ-UHFFFAOYSA-N 2 0 296.499 3.582 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222203588 1135207004 /nfs/dbraw/zinc/20/70/04/1135207004.db2.gz IUPXHMOKQRPFRZ-CMDGGOBGSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccco1 ZINC000574506273 335024369 /nfs/dbraw/zinc/02/43/69/335024369.db2.gz DVSSUDOKTZSTNO-KRWDZBQOSA-N 2 0 290.451 3.999 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000364187365 262181655 /nfs/dbraw/zinc/18/16/55/262181655.db2.gz ALEYBBWMXWKHRO-UHFFFAOYSA-N 2 0 264.457 3.729 20 30 CHEDRP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000571610342 328137339 /nfs/dbraw/zinc/13/73/39/328137339.db2.gz AXZFKBFAXYKSHE-LPHOPBHVSA-N 2 0 299.462 3.863 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274209160 328209511 /nfs/dbraw/zinc/20/95/11/328209511.db2.gz MZQQKVCKEOXWPG-RTBURBONSA-N 2 0 299.462 3.700 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274209158 328209580 /nfs/dbraw/zinc/20/95/80/328209580.db2.gz MZQQKVCKEOXWPG-OALUTQOASA-N 2 0 299.462 3.700 20 30 CHEDRP C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000582431281 328987526 /nfs/dbraw/zinc/98/75/26/328987526.db2.gz YWDVCSOHGOHYHI-IXDOHACOSA-N 2 0 264.457 3.633 20 30 CHEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423154601 330173296 /nfs/dbraw/zinc/17/32/96/330173296.db2.gz JSYPYWJKGQTDSW-IXDOHACOSA-N 2 0 276.468 3.633 20 30 CHEDRP C=CCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000423162563 330173986 /nfs/dbraw/zinc/17/39/86/330173986.db2.gz PWPSHCLPCAYQJD-SJLPKXTDSA-N 2 0 286.463 3.671 20 30 CHEDRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1F ZINC000423290635 330186736 /nfs/dbraw/zinc/18/67/36/330186736.db2.gz DVDNMLJLTKJQIZ-QWHCGFSZSA-N 2 0 297.377 3.568 20 30 CHEDRP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293895 330188125 /nfs/dbraw/zinc/18/81/25/330188125.db2.gz SKPSORVAUJUXRL-AUUYWEPGSA-N 2 0 293.414 3.819 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000423387447 330199831 /nfs/dbraw/zinc/19/98/31/330199831.db2.gz MUYLNCPKYIJVAE-KRWDZBQOSA-N 2 0 282.387 3.680 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423503707 330208495 /nfs/dbraw/zinc/20/84/95/330208495.db2.gz NATXLCSXRZLKSX-IAGOWNOFSA-N 2 0 260.425 3.801 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000119995071 330384346 /nfs/dbraw/zinc/38/43/46/330384346.db2.gz CSMUHZSNIZGUDV-SFHVURJKSA-N 2 0 272.436 3.583 20 30 CHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)CC#N)CC2)C1 ZINC000459726304 331296035 /nfs/dbraw/zinc/29/60/35/331296035.db2.gz DXPZGFFAFVSLJB-DOTOQJQBSA-N 2 0 291.483 3.559 20 30 CHEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000488473265 332012410 /nfs/dbraw/zinc/01/24/10/332012410.db2.gz XXSBCRTVCBDUFD-MRXNPFEDSA-N 2 0 299.462 3.673 20 30 CHEDRP CC(C)CC[NH+]1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000080374326 334170837 /nfs/dbraw/zinc/17/08/37/334170837.db2.gz IPZXVBCFMTZYFS-UHFFFAOYSA-N 2 0 293.499 3.664 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000766124416 1121287144 /nfs/dbraw/zinc/28/71/44/1121287144.db2.gz XTNYNWSNQHAMQP-IRXDYDNUSA-N 2 0 266.473 3.763 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC001183409591 1122220584 /nfs/dbraw/zinc/22/05/84/1122220584.db2.gz NRBQENJAWYSKHG-GTPINHCMSA-N 2 0 266.473 3.974 20 30 CHEDRP CCCCCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201840349 1123155338 /nfs/dbraw/zinc/15/53/38/1123155338.db2.gz YLJUSURPQIHGBI-SJORKVTESA-N 2 0 266.473 3.621 20 30 CHEDRP C[C@@H](NC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827444 1126903120 /nfs/dbraw/zinc/90/31/20/1126903120.db2.gz AUCZOFNQWWTKMJ-SOLBZPMBSA-N 2 0 299.462 3.788 20 30 CHEDRP C=C(C)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485492666 1126919615 /nfs/dbraw/zinc/91/96/15/1126919615.db2.gz OCJCIXIPNWJAFM-UHFFFAOYSA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000487862784 1127044686 /nfs/dbraw/zinc/04/46/86/1127044686.db2.gz SVAZHMYOJCBPNO-UHFFFAOYSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CCCCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178314 1131074758 /nfs/dbraw/zinc/07/47/58/1131074758.db2.gz LVAWDYCMSUNGCX-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP CCC(CC)[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCC1 ZINC000602512474 1127589506 /nfs/dbraw/zinc/58/95/06/1127589506.db2.gz WABBSRTXUMTNPJ-VJFUWPCTSA-N 2 0 291.483 3.559 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602804854 1127615523 /nfs/dbraw/zinc/61/55/23/1127615523.db2.gz MBBJDNBOZBJADB-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP CCC1([NH+](C)C)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000602966464 1127623426 /nfs/dbraw/zinc/62/34/26/1127623426.db2.gz GJLWXTLEYBORRW-UHFFFAOYSA-N 2 0 279.472 3.513 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467415261 1127968211 /nfs/dbraw/zinc/96/82/11/1127968211.db2.gz YHMHMRYUFYBEJY-VNTMZGSJSA-N 2 0 298.474 3.841 20 30 CHEDRP C=CCCC[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000540296773 1127972979 /nfs/dbraw/zinc/97/29/79/1127972979.db2.gz CKHWJSYTIZAHJT-CVEARBPZSA-N 2 0 252.446 3.537 20 30 CHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000925232383 1128126473 /nfs/dbraw/zinc/12/64/73/1128126473.db2.gz KFAJDSHVUJFWAG-MRXNPFEDSA-N 2 0 293.499 3.662 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104977 1128300424 /nfs/dbraw/zinc/30/04/24/1128300424.db2.gz ZAQFKLSJOUTHLH-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC1CCC(C#N)CC1 ZINC000931704622 1128377172 /nfs/dbraw/zinc/37/71/72/1128377172.db2.gz XLHSHUISGWTNKH-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP CCCCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258051220 1128699015 /nfs/dbraw/zinc/69/90/15/1128699015.db2.gz CLGBRZKRHQOTGC-ZACQAIPSSA-N 2 0 266.473 3.619 20 30 CHEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823503 1128727794 /nfs/dbraw/zinc/72/77/94/1128727794.db2.gz LTRVLPVGVUTYDY-INIZCTEOSA-N 2 0 299.462 3.671 20 30 CHEDRP CCCCCCC[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000109185862 1117936688 /nfs/dbraw/zinc/93/66/88/1117936688.db2.gz BJJVQNJCONTBIO-HNNXBMFYSA-N 2 0 254.462 3.667 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397610379 1118264806 /nfs/dbraw/zinc/26/48/06/1118264806.db2.gz RDNGIVWSSIYLSK-QGZVFWFLSA-N 2 0 286.463 3.843 20 30 CHEDRP C=CCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000657567538 1119187876 /nfs/dbraw/zinc/18/78/76/1119187876.db2.gz SSBONHVCLLKHIO-IAGOWNOFSA-N 2 0 276.468 3.729 20 30 CHEDRP C#Cc1cccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926549255 1119464335 /nfs/dbraw/zinc/46/43/35/1119464335.db2.gz FTLZMSKLPZSWIW-INIZCTEOSA-N 2 0 292.426 3.580 20 30 CHEDRP C=CCc1cc(C)cnc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167751342 1120540730 /nfs/dbraw/zinc/54/07/30/1120540730.db2.gz JTOZFCNCBWCRJT-INIZCTEOSA-N 2 0 287.451 3.795 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCCNc2ccccn2)C1 ZINC000651700035 1120716226 /nfs/dbraw/zinc/71/62/26/1120716226.db2.gz QLBBLCOZFAKKMZ-JKSUJKDBSA-N 2 0 273.424 3.608 20 30 CHEDRP C=CCCC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925763678 1120924507 /nfs/dbraw/zinc/92/45/07/1120924507.db2.gz BUKIETQEGPIFIC-ABHNRTSZSA-N 2 0 272.436 3.944 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000766124536 1121285576 /nfs/dbraw/zinc/28/55/76/1121285576.db2.gz XTNYNWSNQHAMQP-SJORKVTESA-N 2 0 266.473 3.763 20 30 CHEDRP CCCCCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC001175398292 1121291914 /nfs/dbraw/zinc/29/19/14/1121291914.db2.gz CLVIBLQREMXFRG-UHFFFAOYSA-N 2 0 254.462 3.763 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001206292491 1121709024 /nfs/dbraw/zinc/70/90/24/1121709024.db2.gz BZVAKVATEUYGNM-QZTJIDSGSA-N 2 0 276.468 3.740 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](CC)[C@H](C)CCC)CC1 ZINC000153009067 1129016256 /nfs/dbraw/zinc/01/62/56/1129016256.db2.gz GPMCKBFYZTWABR-NVXWUHKLSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420296374 1121995344 /nfs/dbraw/zinc/99/53/44/1121995344.db2.gz BQPFCLKHMAAMFD-CYBMUJFWSA-N 2 0 298.883 3.779 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191101258 1122572791 /nfs/dbraw/zinc/57/27/91/1122572791.db2.gz VOMAJLZGJLKMLG-KRWDZBQOSA-N 2 0 266.473 3.907 20 30 CHEDRP C=CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001192515172 1122649602 /nfs/dbraw/zinc/64/96/02/1122649602.db2.gz LSZBSNWIEIRIFZ-UHFFFAOYSA-N 2 0 284.447 3.823 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001199037644 1123018834 /nfs/dbraw/zinc/01/88/34/1123018834.db2.gz BOMZCCXHOOSWKF-IEBWSBKVSA-N 2 0 286.463 3.843 20 30 CHEDRP CCCCCCCCN1CCC([N@H+](C)C2CC2)CC1 ZINC001201839483 1123154116 /nfs/dbraw/zinc/15/41/16/1123154116.db2.gz FKEJNKPWOCXCNM-UHFFFAOYSA-N 2 0 266.473 3.906 20 30 CHEDRP C#CCCCCCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000895821702 1123517674 /nfs/dbraw/zinc/51/76/74/1123517674.db2.gz HYNHLUSPTHZRKS-UHFFFAOYSA-N 2 0 276.468 3.520 20 30 CHEDRP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185772903 1123611550 /nfs/dbraw/zinc/61/15/50/1123611550.db2.gz UATVPZJNTFBYPL-JQHSSLGASA-N 2 0 291.483 3.559 20 30 CHEDRP C=CC[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065672 1123875510 /nfs/dbraw/zinc/87/55/10/1123875510.db2.gz XKZWKBKPQHFPND-HOTGVXAUSA-N 2 0 272.436 3.546 20 30 CHEDRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000339070641 1123942000 /nfs/dbraw/zinc/94/20/00/1123942000.db2.gz CKSVZSHBXAASSM-QRTARXTBSA-N 2 0 294.402 3.524 20 30 CHEDRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447603309 1124498603 /nfs/dbraw/zinc/49/86/03/1124498603.db2.gz XMARCFXJNRXVDE-SFHVURJKSA-N 2 0 299.462 3.721 20 30 CHEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001245989783 1131266222 /nfs/dbraw/zinc/26/62/22/1131266222.db2.gz XZAYGYOTHFISPY-FGTMMUONSA-N 2 0 298.515 3.738 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449471324 1124750897 /nfs/dbraw/zinc/75/08/97/1124750897.db2.gz CBVATTFHMOUHLR-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449471327 1124751819 /nfs/dbraw/zinc/75/18/19/1124751819.db2.gz CBVATTFHMOUHLR-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246097059 1131310948 /nfs/dbraw/zinc/31/09/48/1131310948.db2.gz NFHRAJZHQKKTLJ-HZPDHXFCSA-N 2 0 254.462 3.857 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449734681 1124853999 /nfs/dbraw/zinc/85/39/99/1124853999.db2.gz NXRZJTDRHCFOGT-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC001246139749 1131350969 /nfs/dbraw/zinc/35/09/69/1131350969.db2.gz WJXMSHMDLLFRHW-JKSUJKDBSA-N 2 0 266.473 3.857 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883173816 1125374937 /nfs/dbraw/zinc/37/49/37/1125374937.db2.gz UROYPNIFGZPLJG-AQNXPRMDSA-N 2 0 298.474 3.780 20 30 CHEDRP C=CCC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723694 1129579837 /nfs/dbraw/zinc/57/98/37/1129579837.db2.gz CEKLIUBUPBRMGK-JYJNAYRXSA-N 2 0 252.446 3.569 20 30 CHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 ZINC001169568473 1129738320 /nfs/dbraw/zinc/73/83/20/1129738320.db2.gz AJNCJBCMCQYIPI-MJGOQNOKSA-N 2 0 299.462 3.564 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000651750197 1129746982 /nfs/dbraw/zinc/74/69/82/1129746982.db2.gz ZZXGMUPRVNUUKI-KBPBESRZSA-N 2 0 264.457 3.630 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC001246213256 1131402904 /nfs/dbraw/zinc/40/29/04/1131402904.db2.gz UJPJKGOGXSMRJN-HNNXBMFYSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001246217379 1131405096 /nfs/dbraw/zinc/40/50/96/1131405096.db2.gz FXZBVDBGZDFYIQ-KSZLIROESA-N 2 0 298.515 3.608 20 30 CHEDRP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902779662 1130055340 /nfs/dbraw/zinc/05/53/40/1130055340.db2.gz YUXZIMMFJFHURJ-IBGZPJMESA-N 2 0 299.462 3.863 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378663216 1130247719 /nfs/dbraw/zinc/24/77/19/1130247719.db2.gz DAVNTPHRIHRLSR-MRXNPFEDSA-N 2 0 254.462 3.940 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000793526485 1130564084 /nfs/dbraw/zinc/56/40/84/1130564084.db2.gz MLMINFHVVIIHBB-MRXNPFEDSA-N 2 0 266.473 3.833 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026816 1130703454 /nfs/dbraw/zinc/70/34/54/1130703454.db2.gz SWMYVUUCAFBKHN-DLBZAZTESA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235088088 1130709511 /nfs/dbraw/zinc/70/95/11/1130709511.db2.gz AISUXADFNSVNJG-CMDGGOBGSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094055 1130710193 /nfs/dbraw/zinc/71/01/93/1130710193.db2.gz XNMDPPIPIPDYNB-CMDGGOBGSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235105829 1130712314 /nfs/dbraw/zinc/71/23/14/1130712314.db2.gz WLRUQMAAKIBSHE-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424770 1130741922 /nfs/dbraw/zinc/74/19/22/1130741922.db2.gz JOPWJXVPJGZGLN-QZTJIDSGSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCCCCCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235433102 1130742950 /nfs/dbraw/zinc/74/29/50/1130742950.db2.gz GGZXGCWNBQXFJV-UHFFFAOYSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCC[N@@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235703022 1130771599 /nfs/dbraw/zinc/77/15/99/1130771599.db2.gz OFEHOPOUBKAMGG-UHFFFAOYSA-N 2 0 298.474 3.845 20 30 CHEDRP C=CCCCCCCC[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235762414 1130779139 /nfs/dbraw/zinc/77/91/39/1130779139.db2.gz UCXMVPMCWMSFGX-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925748 1130805720 /nfs/dbraw/zinc/80/57/20/1130805720.db2.gz ZIQUKXRBWBRZCI-INIZCTEOSA-N 2 0 252.446 3.716 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236407165 1130931207 /nfs/dbraw/zinc/93/12/07/1130931207.db2.gz CPNPGYAHMBYUEQ-DVQDXYAYSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817414349 1131160288 /nfs/dbraw/zinc/16/02/88/1131160288.db2.gz WYLPCBZAVLOCIG-KLAILNCOSA-N 2 0 266.473 3.974 20 30 CHEDRP C=CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000817893249 1131186407 /nfs/dbraw/zinc/18/64/07/1131186407.db2.gz DAFZCKKIMZZJKW-NJAFHUGGSA-N 2 0 287.451 3.599 20 30 CHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000817977755 1131194225 /nfs/dbraw/zinc/19/42/25/1131194225.db2.gz OERUFNURZWDVJD-KBPBESRZSA-N 2 0 296.842 3.596 20 30 CHEDRP C=CCCC[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001278253904 1131220411 /nfs/dbraw/zinc/22/04/11/1131220411.db2.gz MRWREQHXPVVBEU-CALCHBBNSA-N 2 0 276.468 3.539 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001246607032 1131714332 /nfs/dbraw/zinc/71/43/32/1131714332.db2.gz ZQASGRQXNGZAEB-QGZVFWFLSA-N 2 0 296.499 3.580 20 30 CHEDRP C=CCCCC[N@@H+](C)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246869944 1131797440 /nfs/dbraw/zinc/79/74/40/1131797440.db2.gz JGXSNCCMFSXEJV-HUUCEWRRSA-N 2 0 252.446 3.584 20 30 CHEDRP CN(Cc1cccc(C#N)c1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641664 1132080297 /nfs/dbraw/zinc/08/02/97/1132080297.db2.gz SKQQZJDBDDMWQT-UHFFFAOYSA-N 2 0 299.462 3.641 20 30 CHEDRP C=CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172075754 1132122824 /nfs/dbraw/zinc/12/28/24/1132122824.db2.gz SQPAGQNZDMNPAU-REPLKXPHSA-N 2 0 284.447 3.690 20 30 CHEDRP C=C(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062542 1132126437 /nfs/dbraw/zinc/12/64/37/1132126437.db2.gz PCJLVEZSCZYMQA-REPLKXPHSA-N 2 0 284.447 3.738 20 30 CHEDRP CCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105527 1132130022 /nfs/dbraw/zinc/13/00/22/1132130022.db2.gz IVEHHIZGFUKMIL-MUJYYYPQSA-N 2 0 252.446 3.562 20 30 CHEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001172484092 1132231107 /nfs/dbraw/zinc/23/11/07/1132231107.db2.gz XPKUPBSWCJIPCK-INIZCTEOSA-N 2 0 291.483 3.703 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172491149 1132246910 /nfs/dbraw/zinc/24/69/10/1132246910.db2.gz DNDQLQUUQCIMBR-SZMVWBNQSA-N 2 0 291.483 3.831 20 30 CHEDRP CC[NH+](CC)C1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001173112159 1132394906 /nfs/dbraw/zinc/39/49/06/1132394906.db2.gz RJVJTVIYQVLVSQ-UHFFFAOYSA-N 2 0 291.483 3.798 20 30 CHEDRP CCCCCCCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000842478272 1132432898 /nfs/dbraw/zinc/43/28/98/1132432898.db2.gz GMACBQVBRHAEQU-ROUUACIJSA-N 2 0 296.499 3.565 20 30 CHEDRP CC(C)C[N@@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173332413 1132465205 /nfs/dbraw/zinc/46/52/05/1132465205.db2.gz KORMRKJSJVQLIJ-QXINMDOSSA-N 2 0 291.483 3.687 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205538916 1133586173 /nfs/dbraw/zinc/58/61/73/1133586173.db2.gz RDZBXMPKMVNJFG-INIZCTEOSA-N 2 0 272.452 3.890 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981422 1133638058 /nfs/dbraw/zinc/63/80/58/1133638058.db2.gz CBMLAFSVKYJPMA-DLBZAZTESA-N 2 0 266.473 3.820 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3C[NH+](CCC)C[C@@H]3C2)CC1 ZINC001208178252 1133897983 /nfs/dbraw/zinc/89/79/83/1133897983.db2.gz PFVKJRYMRDBXRO-GUDVDZBRSA-N 2 0 288.479 3.563 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209207357 1133988393 /nfs/dbraw/zinc/98/83/93/1133988393.db2.gz VLKHSYFHDWKMPL-VQTJNVASSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476708 1134225105 /nfs/dbraw/zinc/22/51/05/1134225105.db2.gz YFTNSCBWTQNCID-INIZCTEOSA-N 2 0 252.446 3.587 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)CC1 ZINC001222307852 1135221311 /nfs/dbraw/zinc/22/13/11/1135221311.db2.gz CKMYNFGUUIPYRF-MOPGFXCFSA-N 2 0 288.479 3.897 20 30 CHEDRP C=CCCCCCC[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595588 1135254402 /nfs/dbraw/zinc/25/44/02/1135254402.db2.gz DLYZPTQVWXGERF-LJQANCHMSA-N 2 0 298.474 3.812 20 30 CHEDRP CCCCCCCC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226785441 1135741315 /nfs/dbraw/zinc/74/13/15/1135741315.db2.gz ULJOAIZHMPNHMS-UHFFFAOYSA-N 2 0 252.446 3.565 20 30 CHEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365436334 262364944 /nfs/dbraw/zinc/36/49/44/262364944.db2.gz ZCEUBUNVSVUFDX-QGZVFWFLSA-N 2 0 291.483 3.514 20 30 CHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)CCC#N)CC1)CC(C)C ZINC000411438210 262693643 /nfs/dbraw/zinc/69/36/43/262693643.db2.gz BLGVZXHVNFCPAW-KRWDZBQOSA-N 2 0 293.499 3.759 20 30 CHEDRP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000571610341 328137216 /nfs/dbraw/zinc/13/72/16/328137216.db2.gz AXZFKBFAXYKSHE-APWZRJJASA-N 2 0 299.462 3.863 20 30 CHEDRP C=C(C)CC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000509023663 332856410 /nfs/dbraw/zinc/85/64/10/332856410.db2.gz XJVKAWRNUHTNHR-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP N#CCCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423134055 330172085 /nfs/dbraw/zinc/17/20/85/330172085.db2.gz RLTDSTBNMYHDHS-VMWRSERWSA-N 2 0 285.435 3.529 20 30 CHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000423185346 330175671 /nfs/dbraw/zinc/17/56/71/330175671.db2.gz VHAXCTBYWURNSI-GOSISDBHSA-N 2 0 297.446 3.577 20 30 CHEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423290634 330186946 /nfs/dbraw/zinc/18/69/46/330186946.db2.gz DVDNMLJLTKJQIZ-OLZOCXBDSA-N 2 0 297.377 3.568 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292924 330187578 /nfs/dbraw/zinc/18/75/78/330187578.db2.gz OYYLXIFMNLDXOX-LSDHHAIUSA-N 2 0 260.425 3.931 20 30 CHEDRP C=C(C)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453305913 331113913 /nfs/dbraw/zinc/11/39/13/331113913.db2.gz ALRNPWDRPFESDV-UHFFFAOYSA-N 2 0 286.463 3.985 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935771 333240524 /nfs/dbraw/zinc/24/05/24/333240524.db2.gz UYQSYXVLQIXNQG-RBUKOAKNSA-N 2 0 286.463 3.843 20 30 CHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC(C)(C)CCC#N ZINC000174272606 335151714 /nfs/dbraw/zinc/15/17/14/335151714.db2.gz AOZFWHDLGWTIRM-MRXNPFEDSA-N 2 0 279.472 3.561 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000245842642 334221118 /nfs/dbraw/zinc/22/11/18/334221118.db2.gz DWPYRIXZAYGNAV-DLBZAZTESA-N 2 0 299.462 3.863 20 30 CHEDRP CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660974 1131779790 /nfs/dbraw/zinc/77/97/90/1131779790.db2.gz QMPIDRMONWUGNO-QZWWFDLISA-N 2 0 266.473 3.937 20 30 CHEDRP C=CCCC[N@@H+](C)[C@@H]1CCC[NH+](CCCC=C)CC1 ZINC000532825820 1125584754 /nfs/dbraw/zinc/58/47/54/1125584754.db2.gz SRTZPBVIEDVVFV-QGZVFWFLSA-N 2 0 264.457 3.705 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000181511270 1126856585 /nfs/dbraw/zinc/85/65/85/1126856585.db2.gz NEWIUGVUFIALQE-IRXDYDNUSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191273147 1126950059 /nfs/dbraw/zinc/95/00/59/1126950059.db2.gz GMTCZDLHQISJQS-NSHDSACASA-N 2 0 284.856 3.703 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157549567 1127327401 /nfs/dbraw/zinc/32/74/01/1127327401.db2.gz AOOIEBCGQGVXEZ-GVDBMIGSSA-N 2 0 266.473 3.952 20 30 CHEDRP CC[N@H+](CCC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000593661000 1127393761 /nfs/dbraw/zinc/39/37/61/1127393761.db2.gz VEXRWUFWBQVOCR-IRXDYDNUSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000595053154 1127451946 /nfs/dbraw/zinc/45/19/46/1127451946.db2.gz WEIHYPSZXYRVMX-CVEARBPZSA-N 2 0 296.524 3.538 20 30 CHEDRP CC(C)(C#N)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595510097 1127465159 /nfs/dbraw/zinc/46/51/59/1127465159.db2.gz KDWOEOGTBZNGAH-UHFFFAOYSA-N 2 0 299.462 3.571 20 30 CHEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000602459960 1127581974 /nfs/dbraw/zinc/58/19/74/1127581974.db2.gz PHVDYVLBWKTULX-QZTJIDSGSA-N 2 0 291.483 3.514 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602512695 1127590055 /nfs/dbraw/zinc/59/00/55/1127590055.db2.gz MUXOYYJEUIPTKR-MRXNPFEDSA-N 2 0 287.451 3.558 20 30 CHEDRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC1(C)C ZINC000598980673 1127649501 /nfs/dbraw/zinc/64/95/01/1127649501.db2.gz NQTNIZGWBQZRHY-ROUUACIJSA-N 2 0 299.462 3.884 20 30 CHEDRP CC(C)CCC[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692598 1127659834 /nfs/dbraw/zinc/65/98/34/1127659834.db2.gz GRZWYBBMGDSIEY-UHFFFAOYSA-N 2 0 299.462 3.548 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467415260 1127967975 /nfs/dbraw/zinc/96/79/75/1127967975.db2.gz YHMHMRYUFYBEJY-LWYYNNOASA-N 2 0 298.474 3.841 20 30 CHEDRP C=C(CC)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000540239541 1127971403 /nfs/dbraw/zinc/97/14/03/1127971403.db2.gz OFHBCPPAIRQIQM-UHFFFAOYSA-N 2 0 298.474 3.941 20 30 CHEDRP CC1(C)C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925679158 1128136787 /nfs/dbraw/zinc/13/67/87/1128136787.db2.gz YQZJYVYEPPDTRU-FGTMMUONSA-N 2 0 299.462 3.917 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929408 1128396223 /nfs/dbraw/zinc/39/62/23/1128396223.db2.gz NZRZSVOXZAWTKU-ROUUACIJSA-N 2 0 278.484 3.835 20 30 CHEDRP CC(C)[N@H+](C)CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000574955608 1128665608 /nfs/dbraw/zinc/66/56/08/1128665608.db2.gz HQYAZEPNZLJMRX-UHFFFAOYSA-N 2 0 293.499 3.759 20 30 CHEDRP CCC(CC)[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCC1 ZINC000174262052 1117803308 /nfs/dbraw/zinc/80/33/08/1117803308.db2.gz USOQPYNEBIBJFI-QGZVFWFLSA-N 2 0 293.499 3.807 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986682 1119286269 /nfs/dbraw/zinc/28/62/69/1119286269.db2.gz IBTXKSAOEAQJHJ-HOTGVXAUSA-N 2 0 254.462 3.654 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000657993893 1119663119 /nfs/dbraw/zinc/66/31/19/1119663119.db2.gz MQPIVQNESBBXEQ-WMZOPIPTSA-N 2 0 276.468 3.585 20 30 CHEDRP CCCCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709442518 1120596227 /nfs/dbraw/zinc/59/62/27/1120596227.db2.gz BVCSMHLOIJVXOD-SJPCQFCGSA-N 2 0 266.473 4.000 20 30 CHEDRP C=CCCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680632 1120676721 /nfs/dbraw/zinc/67/67/21/1120676721.db2.gz VAZAMTUTCLVGRX-UHFFFAOYSA-N 2 0 272.436 3.597 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000651731211 1120728675 /nfs/dbraw/zinc/72/86/75/1120728675.db2.gz IWUHKYZYJHJCOG-RDJZCZTQSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000651731212 1120729195 /nfs/dbraw/zinc/72/91/95/1120729195.db2.gz IWUHKYZYJHJCOG-WBVHZDCISA-N 2 0 276.468 3.728 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000651749818 1120733702 /nfs/dbraw/zinc/73/37/02/1120733702.db2.gz KOKYXTGIZWJVKR-MAUKXSAKSA-N 2 0 272.436 3.583 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001167825708 1121000254 /nfs/dbraw/zinc/00/02/54/1121000254.db2.gz KXQHDHUWKDIESZ-MRXNPFEDSA-N 2 0 287.451 3.501 20 30 CHEDRP C=CCC1([NH2+]CCC[NH+](CC)CC)CCCCC1 ZINC001175371926 1121302836 /nfs/dbraw/zinc/30/28/36/1121302836.db2.gz NIYUPWYYMCCYJM-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP C=CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716640505 1122522594 /nfs/dbraw/zinc/52/25/94/1122522594.db2.gz WSYZVXURICNHCI-UFYCRDLUSA-N 2 0 298.474 3.985 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191101259 1122572845 /nfs/dbraw/zinc/57/28/45/1122572845.db2.gz VOMAJLZGJLKMLG-QGZVFWFLSA-N 2 0 266.473 3.907 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001199037646 1123018609 /nfs/dbraw/zinc/01/86/09/1123018609.db2.gz BOMZCCXHOOSWKF-PKOBYXMFSA-N 2 0 286.463 3.843 20 30 CHEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157057997 1129120599 /nfs/dbraw/zinc/12/05/99/1129120599.db2.gz UHQDXJMYAYYGOK-SJLPKXTDSA-N 2 0 272.436 3.547 20 30 CHEDRP C=CCN1CCC([NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655711196 1123855041 /nfs/dbraw/zinc/85/50/41/1123855041.db2.gz GGQJUZJDNPQSND-SFHVURJKSA-N 2 0 284.447 3.531 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1CCN1C1CCCCCC1 ZINC000865805407 1124015208 /nfs/dbraw/zinc/01/52/08/1124015208.db2.gz YTWDNZAOCIKMRF-QGZVFWFLSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000448032061 1124558444 /nfs/dbraw/zinc/55/84/44/1124558444.db2.gz VTSDAPNLBDRQAW-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244512 1125245479 /nfs/dbraw/zinc/24/54/79/1125245479.db2.gz XBCZYDXBETYOIB-RTBURBONSA-N 2 0 284.447 3.549 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000772856232 1131357602 /nfs/dbraw/zinc/35/76/02/1131357602.db2.gz LWRGWDIVQPDZBL-GOSISDBHSA-N 2 0 272.436 3.625 20 30 CHEDRP CCCCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745990941 1129621890 /nfs/dbraw/zinc/62/18/90/1129621890.db2.gz LQTOIQHDRGPQNJ-UHFFFAOYSA-N 2 0 296.499 3.534 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]CCC1(O)CC[NH2+]CC1 ZINC001246188670 1131388254 /nfs/dbraw/zinc/38/82/54/1131388254.db2.gz TXWUZIDLSXHFTR-KRWDZBQOSA-N 2 0 298.515 3.610 20 30 CHEDRP C#CCCCCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001168838566 1129675983 /nfs/dbraw/zinc/67/59/83/1129675983.db2.gz OKUANUPQRLRKSQ-UHFFFAOYSA-N 2 0 286.463 3.764 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650756033 1129722221 /nfs/dbraw/zinc/72/22/21/1129722221.db2.gz RZURMCXIRGPLAV-OAHLLOKOSA-N 2 0 260.425 3.631 20 30 CHEDRP C=CCCCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769447863 1129910411 /nfs/dbraw/zinc/91/04/11/1129910411.db2.gz ZBRUEHMLJAEAAQ-UHFFFAOYSA-N 2 0 274.452 3.926 20 30 CHEDRP C=CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903185934 1130125925 /nfs/dbraw/zinc/12/59/25/1130125925.db2.gz HYEHEDKLOYYSGZ-ZNXRZULTSA-N 2 0 288.479 3.870 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995209 1130700953 /nfs/dbraw/zinc/70/09/53/1130700953.db2.gz YYDRWXZCIJHPRZ-QGZVFWFLSA-N 2 0 264.457 3.589 20 30 CHEDRP N#CCC[N@@H+](Cc1ccc(C[NH3+])cc1)C1CCCCCCC1 ZINC001235662927 1130762024 /nfs/dbraw/zinc/76/20/24/1130762024.db2.gz FKGWGYAHOIFFDG-UHFFFAOYSA-N 2 0 299.462 3.974 20 30 CHEDRP CCCCCCC[N@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC001235660897 1130763173 /nfs/dbraw/zinc/76/31/73/1130763173.db2.gz IHKOGDZHOFQCEE-UHFFFAOYSA-N 2 0 262.441 3.938 20 30 CHEDRP CCCCCCC[N@H+](CC)Cc1cccc(C[NH3+])c1 ZINC001235663187 1130763339 /nfs/dbraw/zinc/76/33/39/1130763339.db2.gz VMFCUGAGRYCIDF-UHFFFAOYSA-N 2 0 262.441 3.938 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC([NH2+]CC)CC1 ZINC001235725826 1130773163 /nfs/dbraw/zinc/77/31/63/1130773163.db2.gz OYEWXYRWKZSDLP-UHFFFAOYSA-N 2 0 266.473 3.977 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC001235884090 1130792853 /nfs/dbraw/zinc/79/28/53/1130792853.db2.gz SYGICOAYCCXLPN-IEBWSBKVSA-N 2 0 288.479 3.753 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235893654 1130795665 /nfs/dbraw/zinc/79/56/65/1130795665.db2.gz YEPLBGIILYHAPP-HZPDHXFCSA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236044073 1130836003 /nfs/dbraw/zinc/83/60/03/1130836003.db2.gz JAQMYGFMDAUBEU-HOTGVXAUSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236044077 1130837908 /nfs/dbraw/zinc/83/79/08/1130837908.db2.gz JAQMYGFMDAUBEU-JKSUJKDBSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236065667 1130845789 /nfs/dbraw/zinc/84/57/89/1130845789.db2.gz CGEOCDMPRWYRJA-QGZVFWFLSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCCCCCC[N@H+](C)CCCC[NH3+] ZINC001236144560 1130876015 /nfs/dbraw/zinc/87/60/15/1130876015.db2.gz YPVIKMGVUYDXMI-UHFFFAOYSA-N 2 0 254.462 3.964 20 30 CHEDRP C=CCCCCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584515 1130980797 /nfs/dbraw/zinc/98/07/97/1130980797.db2.gz GIYDLZYHPAYISO-MRXNPFEDSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769432 1131003843 /nfs/dbraw/zinc/00/38/43/1131003843.db2.gz VFGFYBUMMRMVDM-SHTZXODSSA-N 2 0 252.446 3.571 20 30 CHEDRP CCCCCCCC[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236830337 1131016554 /nfs/dbraw/zinc/01/65/54/1131016554.db2.gz NFYGUECFDXONNP-MRXNPFEDSA-N 2 0 254.462 3.668 20 30 CHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000817977756 1131193620 /nfs/dbraw/zinc/19/36/20/1131193620.db2.gz OERUFNURZWDVJD-KGLIPLIRSA-N 2 0 296.842 3.596 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H](C(C)C)C1C[NH2+]C1 ZINC001246515133 1131543399 /nfs/dbraw/zinc/54/33/99/1131543399.db2.gz JUQUSCWLAAEMNN-SJORKVTESA-N 2 0 268.489 3.959 20 30 CHEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541931 1131582528 /nfs/dbraw/zinc/58/25/28/1131582528.db2.gz HTYXSJLVIWLHLZ-MSOLQXFVSA-N 2 0 298.515 3.691 20 30 CHEDRP C#Cc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1 ZINC001144576532 1131661924 /nfs/dbraw/zinc/66/19/24/1131661924.db2.gz MJFQKNWDWNQZKR-VQTJNVASSA-N 2 0 296.458 3.507 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223351 1131701313 /nfs/dbraw/zinc/70/13/13/1131701313.db2.gz PWOQLAAVNYMSPC-BZSNNMDCSA-N 2 0 296.499 3.565 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172505009 1132253808 /nfs/dbraw/zinc/25/38/08/1132253808.db2.gz KKCSIEGJQLPACD-MRXNPFEDSA-N 2 0 291.483 3.798 20 30 CHEDRP CCCCCCCCCCCC[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001172564526 1132269829 /nfs/dbraw/zinc/26/98/29/1132269829.db2.gz IEDHIYHXCZTFQF-DLBZAZTESA-N 2 0 286.504 3.595 20 30 CHEDRP CCCCCCCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000842478268 1132433332 /nfs/dbraw/zinc/43/33/32/1132433332.db2.gz GMACBQVBRHAEQU-MSOLQXFVSA-N 2 0 296.499 3.565 20 30 CHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331439 1132463246 /nfs/dbraw/zinc/46/32/46/1132463246.db2.gz DNIIJBPCCHFUGS-OWCVQMPJSA-N 2 0 291.483 3.701 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257218 1133551527 /nfs/dbraw/zinc/55/15/27/1133551527.db2.gz UEELFVPYDLYNSD-INIZCTEOSA-N 2 0 254.462 3.940 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001205605004 1133593871 /nfs/dbraw/zinc/59/38/71/1133593871.db2.gz YNHMTEBKITUVOH-KBAYOESNSA-N 2 0 276.468 3.596 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205762380 1133610498 /nfs/dbraw/zinc/61/04/98/1133610498.db2.gz LRWNYPLTJMWZFR-OAHLLOKOSA-N 2 0 288.426 3.819 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981424 1133638178 /nfs/dbraw/zinc/63/81/78/1133638178.db2.gz CBMLAFSVKYJPMA-IRXDYDNUSA-N 2 0 266.473 3.820 20 30 CHEDRP C=CCC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207483925 1133805287 /nfs/dbraw/zinc/80/52/87/1133805287.db2.gz JCYKXHOKRIWVII-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@@H]3C[NH+](CCC)C[C@H]3C2)CC1 ZINC001208178254 1133897896 /nfs/dbraw/zinc/89/78/96/1133897896.db2.gz PFVKJRYMRDBXRO-QYZOEREBSA-N 2 0 288.479 3.563 20 30 CHEDRP C=CCCC[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001209161700 1133982354 /nfs/dbraw/zinc/98/23/54/1133982354.db2.gz BLGCJKQVVMQMHN-UHFFFAOYSA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCCCCCC[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001209438961 1134020747 /nfs/dbraw/zinc/02/07/47/1134020747.db2.gz ZJBQTLOCJJIPMK-QGZVFWFLSA-N 2 0 288.435 3.980 20 30 CHEDRP C=CCCCCCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001209440289 1134021122 /nfs/dbraw/zinc/02/11/22/1134021122.db2.gz FODTWTDZVDOXLP-UHFFFAOYSA-N 2 0 287.451 3.649 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222204422 1135206858 /nfs/dbraw/zinc/20/68/58/1135206858.db2.gz ZQLHERSLDPCHNO-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222453162 1135244777 /nfs/dbraw/zinc/24/47/77/1135244777.db2.gz SVQIKHLROYOZMQ-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000103743877 185857394 /nfs/dbraw/zinc/85/73/94/185857394.db2.gz CBCBYIMNLDFLEX-UHFFFAOYSA-N 2 0 254.462 3.798 20 30 CHEDRP C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180158723 264391955 /nfs/dbraw/zinc/39/19/55/264391955.db2.gz HGSIXLQQAVTOKS-IHWFROFDSA-N 2 0 296.458 3.575 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185762100 327844668 /nfs/dbraw/zinc/84/46/68/327844668.db2.gz QSJRXHHXYAJMOK-APWZRJJASA-N 2 0 299.462 3.700 20 30 CHEDRP CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000571610344 328137258 /nfs/dbraw/zinc/13/72/58/328137258.db2.gz AXZFKBFAXYKSHE-VQIMIIECSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000422991476 330163296 /nfs/dbraw/zinc/16/32/96/330163296.db2.gz BEZSNMKCQDXVKY-WBVHZDCISA-N 2 0 260.425 3.801 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423402749 330196430 /nfs/dbraw/zinc/19/64/30/330196430.db2.gz WQHAWRRUGTZPDQ-KRWDZBQOSA-N 2 0 258.409 3.514 20 30 CHEDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503072 330208550 /nfs/dbraw/zinc/20/85/50/330208550.db2.gz MLAOJKNFEQHHMG-BEFAXECRSA-N 2 0 293.414 3.689 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000119906128 330381432 /nfs/dbraw/zinc/38/14/32/330381432.db2.gz FXYWRJKBKIWJGW-GOSISDBHSA-N 2 0 272.436 3.583 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000467412775 331418169 /nfs/dbraw/zinc/41/81/69/331418169.db2.gz UJMCNYBRKWUZSQ-RDJZCZTQSA-N 2 0 290.451 3.632 20 30 CHEDRP C=CCCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000577886323 335417229 /nfs/dbraw/zinc/41/72/29/335417229.db2.gz HFQWLKKISURXNA-UHFFFAOYSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000449130232 1124653320 /nfs/dbraw/zinc/65/33/20/1124653320.db2.gz GBMHKXKPDSUAAJ-IAGOWNOFSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355042 1125769705 /nfs/dbraw/zinc/76/97/05/1125769705.db2.gz GYZKEXLNMZPXTA-GOSISDBHSA-N 2 0 278.484 3.833 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000181511250 1126857082 /nfs/dbraw/zinc/85/70/82/1126857082.db2.gz NEWIUGVUFIALQE-SJORKVTESA-N 2 0 299.462 3.863 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668435227 1126885916 /nfs/dbraw/zinc/88/59/16/1126885916.db2.gz AKZYQIBMPWUBBT-LPHOPBHVSA-N 2 0 299.462 3.775 20 30 CHEDRP C=C(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485469035 1126918539 /nfs/dbraw/zinc/91/85/39/1126918539.db2.gz SGPSXVUIBPVSMV-UHFFFAOYSA-N 2 0 298.474 3.941 20 30 CHEDRP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000602459961 1127582286 /nfs/dbraw/zinc/58/22/86/1127582286.db2.gz PHVDYVLBWKTULX-ROUUACIJSA-N 2 0 291.483 3.514 20 30 CHEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109705 1127631132 /nfs/dbraw/zinc/63/11/32/1127631132.db2.gz FDNFAJREIPRXBR-QGZVFWFLSA-N 2 0 299.462 3.817 20 30 CHEDRP C=CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362397911 1127633281 /nfs/dbraw/zinc/63/32/81/1127633281.db2.gz TZPNYPFVELYZCZ-UHFFFAOYSA-N 2 0 284.447 3.551 20 30 CHEDRP C[N@H+](CCCCC(C)(C)C#N)CC[C@@H]1CCCC[NH+]1C ZINC000409446532 1127768781 /nfs/dbraw/zinc/76/87/81/1127768781.db2.gz ZHJPLEFMTNCCBA-INIZCTEOSA-N 2 0 279.472 3.513 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2CCCC)CC1 ZINC000468367501 1128003381 /nfs/dbraw/zinc/00/33/81/1128003381.db2.gz NBQLFRIUYPMMHL-AEFFLSMTSA-N 2 0 278.484 3.975 20 30 CHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000924957704 1128117937 /nfs/dbraw/zinc/11/79/37/1128117937.db2.gz HZEPKIWQXVFAQP-HNNXBMFYSA-N 2 0 287.451 3.556 20 30 CHEDRP CCCCCCCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001235106834 1128300957 /nfs/dbraw/zinc/30/09/57/1128300957.db2.gz RNSINILNKFKWTO-UHFFFAOYSA-N 2 0 266.473 3.955 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930001336 1128297020 /nfs/dbraw/zinc/29/70/20/1128297020.db2.gz UVSOAEOMNCKMSD-SJORKVTESA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCC[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccco1 ZINC000567258014 1128561197 /nfs/dbraw/zinc/56/11/97/1128561197.db2.gz DPDSAOPRBYXCLK-SJORKVTESA-N 2 0 290.451 3.997 20 30 CHEDRP CCCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000567374465 1128562828 /nfs/dbraw/zinc/56/28/28/1128562828.db2.gz CIEZZUAIHFSESY-LJQANCHMSA-N 2 0 299.462 3.863 20 30 CHEDRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569396 1128587654 /nfs/dbraw/zinc/58/76/54/1128587654.db2.gz QEDATJMGMJPKIU-ROUUACIJSA-N 2 0 299.462 3.502 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258049446 1128688959 /nfs/dbraw/zinc/68/89/59/1128688959.db2.gz HYLMCGDSZMMMQS-IRXDYDNUSA-N 2 0 266.473 3.763 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770108 1117856322 /nfs/dbraw/zinc/85/63/22/1117856322.db2.gz QUTPQZLUFVMDQK-SJORKVTESA-N 2 0 266.473 3.962 20 30 CHEDRP CCCCCCCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226437015 1118927598 /nfs/dbraw/zinc/92/75/98/1118927598.db2.gz PRFDYTHYDIEVHA-INIZCTEOSA-N 2 0 254.462 3.668 20 30 CHEDRP CC(C)(C#N)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000119848447 1119094411 /nfs/dbraw/zinc/09/44/11/1119094411.db2.gz KRLQFIMFZPIYJP-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC)CC1 ZINC000657823081 1119467529 /nfs/dbraw/zinc/46/75/29/1119467529.db2.gz IHZXTECDUSQVTE-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=C1CC[NH+](Cc2ccccc2C[NH+]2CCC(=C)CC2)CC1 ZINC000343664821 1119482766 /nfs/dbraw/zinc/48/27/66/1119482766.db2.gz OSLUKQQKGQZGFY-UHFFFAOYSA-N 2 0 296.458 3.991 20 30 CHEDRP CCCCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129804881 1119635645 /nfs/dbraw/zinc/63/56/45/1119635645.db2.gz AJJTTZQJUXDOIB-CVEARBPZSA-N 2 0 254.462 3.809 20 30 CHEDRP C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543462078 1120528602 /nfs/dbraw/zinc/52/86/02/1120528602.db2.gz WJHPDZCPBQNOAT-BBWFWOEESA-N 2 0 278.484 3.974 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466482 1120981636 /nfs/dbraw/zinc/98/16/36/1120981636.db2.gz UMFUWHSOVMESRP-AEFFLSMTSA-N 2 0 278.484 3.833 20 30 CHEDRP C=C(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000893668853 1121156656 /nfs/dbraw/zinc/15/66/56/1121156656.db2.gz ROLRVKDVJHZLCV-KRWDZBQOSA-N 2 0 294.389 3.513 20 30 CHEDRP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658115307 1121165834 /nfs/dbraw/zinc/16/58/34/1121165834.db2.gz UNORCKRFVXTOBE-GUDVDZBRSA-N 2 0 284.447 3.595 20 30 CHEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512239950 1121218778 /nfs/dbraw/zinc/21/87/78/1121218778.db2.gz BSWOVBNRWFOFRI-LJQANCHMSA-N 2 0 284.447 3.551 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000174249097 1121276616 /nfs/dbraw/zinc/27/66/16/1121276616.db2.gz UXJXCGXCANNYID-UHFFFAOYSA-N 2 0 299.462 3.702 20 30 CHEDRP CC(C)(C#N)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611462517 1121648977 /nfs/dbraw/zinc/64/89/77/1121648977.db2.gz NALOFKBWGIAGDN-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP C=CCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205605282 1122657067 /nfs/dbraw/zinc/65/70/67/1122657067.db2.gz ZSHXCBBIDVFHEA-IAGOWNOFSA-N 2 0 266.473 3.820 20 30 CHEDRP C=CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000850498620 1123275107 /nfs/dbraw/zinc/27/51/07/1123275107.db2.gz YEDFCXNYNDPOAZ-ALOPSCKCSA-N 2 0 276.468 3.728 20 30 CHEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302152910 1123957389 /nfs/dbraw/zinc/95/73/89/1123957389.db2.gz LHOGRTHUNXMLAK-UHFFFAOYSA-N 2 0 295.430 3.996 20 30 CHEDRP C=C(C)CN1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000106245988 1124018738 /nfs/dbraw/zinc/01/87/38/1124018738.db2.gz LHVHDRPRXINJKW-UHFFFAOYSA-N 2 0 294.442 3.970 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000448032053 1124559600 /nfs/dbraw/zinc/55/96/00/1124559600.db2.gz VTSDAPNLBDRQAW-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449486743 1124765037 /nfs/dbraw/zinc/76/50/37/1124765037.db2.gz VCHUNTSAMBVGRD-AEFFLSMTSA-N 2 0 286.463 3.699 20 30 CHEDRP CCCCCCC[C@@H](CCC)[NH2+]CC1(C)C[NH2+]C1 ZINC001246093836 1131305803 /nfs/dbraw/zinc/30/58/03/1131305803.db2.gz LBQFYSMRQKHLNP-OAHLLOKOSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC[NH2+]C1 ZINC001246110261 1131330209 /nfs/dbraw/zinc/33/02/09/1131330209.db2.gz HXCCPAOMAICWRQ-JKSUJKDBSA-N 2 0 254.462 3.715 20 30 CHEDRP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000348047462 1129276669 /nfs/dbraw/zinc/27/66/69/1129276669.db2.gz NUDJUWSINUAMFH-IBGZPJMESA-N 2 0 299.462 3.501 20 30 CHEDRP C=CCC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639306472 1129301383 /nfs/dbraw/zinc/30/13/83/1129301383.db2.gz DOGOTHKTTBEDTL-AEFFLSMTSA-N 2 0 270.420 3.520 20 30 CHEDRP CCCCCCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000740877665 1129423130 /nfs/dbraw/zinc/42/31/30/1129423130.db2.gz WGCIGGHWBLAUQR-UHFFFAOYSA-N 2 0 254.462 3.763 20 30 CHEDRP CCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169097531 1129696282 /nfs/dbraw/zinc/69/62/82/1129696282.db2.gz BAJDFUOOEZHMBR-PHZGNYQRSA-N 2 0 252.446 3.562 20 30 CHEDRP C=CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169124696 1129701690 /nfs/dbraw/zinc/70/16/90/1129701690.db2.gz SGKYGYHMQVQZQX-XMTFNYHQSA-N 2 0 270.420 3.519 20 30 CHEDRP CCCCCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139049 1129702457 /nfs/dbraw/zinc/70/24/57/1129702457.db2.gz LXIFHTCFVVRNBX-BJWYYQGGSA-N 2 0 266.473 3.904 20 30 CHEDRP C=CCC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140646 1129705999 /nfs/dbraw/zinc/70/59/99/1129705999.db2.gz LCEBLSFBSLICHO-BWTSREIZSA-N 2 0 284.447 3.690 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246222996 1131411141 /nfs/dbraw/zinc/41/11/41/1131411141.db2.gz UFJKBHLCHQDHLK-NCOADZHNSA-N 2 0 266.473 3.713 20 30 CHEDRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000902852830 1130070943 /nfs/dbraw/zinc/07/09/43/1130070943.db2.gz DBPZRLCIBXHFLO-SFHVURJKSA-N 2 0 299.462 3.862 20 30 CHEDRP C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@@H]1CCC[NH3+] ZINC000903766076 1130196494 /nfs/dbraw/zinc/19/64/94/1130196494.db2.gz OBDHUSPFCNBOOG-IAGOWNOFSA-N 2 0 291.483 3.690 20 30 CHEDRP C=C(Cl)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000788647530 1130197800 /nfs/dbraw/zinc/19/78/00/1130197800.db2.gz VMWBMZUNTGIFQT-UHFFFAOYSA-N 2 0 292.854 3.772 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000793526329 1130564469 /nfs/dbraw/zinc/56/44/69/1130564469.db2.gz QPQLMGWVZLHMEY-CVEARBPZSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000793526338 1130564714 /nfs/dbraw/zinc/56/47/14/1130564714.db2.gz QPQLMGWVZLHMEY-JKSUJKDBSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCCC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235150773 1130714366 /nfs/dbraw/zinc/71/43/66/1130714366.db2.gz ADQRAPWHRQEJQR-KRWDZBQOSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405494 1130739291 /nfs/dbraw/zinc/73/92/91/1130739291.db2.gz PHXARJHFUITYAC-SJORKVTESA-N 2 0 284.463 3.761 20 30 CHEDRP C=CCCCCCCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950782 1130815102 /nfs/dbraw/zinc/81/51/02/1130815102.db2.gz MRCLUUJVLPTIRP-QGZVFWFLSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCCCCC[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009484 1130831049 /nfs/dbraw/zinc/83/10/49/1130831049.db2.gz UDYVZVPZCUBCJI-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314677 1130913485 /nfs/dbraw/zinc/91/34/85/1130913485.db2.gz RYEMAYDDKQVZTA-CALCHBBNSA-N 2 0 266.473 3.668 20 30 CHEDRP C=CCCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372577 1130922412 /nfs/dbraw/zinc/92/24/12/1130922412.db2.gz QFNQJAMYZJBNDR-INIZCTEOSA-N 2 0 264.457 3.587 20 30 CHEDRP C#Cc1cccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236779275 1131006633 /nfs/dbraw/zinc/00/66/33/1131006633.db2.gz GYURJERCJJRXJE-WGSAOQKQSA-N 2 0 298.474 3.786 20 30 CHEDRP C#CC1CC[NH+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237888376 1131149138 /nfs/dbraw/zinc/14/91/38/1131149138.db2.gz CPNKKPWTEIRBDA-UHFFFAOYSA-N 2 0 294.442 3.533 20 30 CHEDRP C=CC[N@@H+](Cc1ccc(-n2ccnc2C)cc1)C(C)(C)C ZINC001138550428 1131519641 /nfs/dbraw/zinc/51/96/41/1131519641.db2.gz SMAYXMWJQNSKPY-UHFFFAOYSA-N 2 0 283.419 3.967 20 30 CHEDRP CCCCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246546186 1131594513 /nfs/dbraw/zinc/59/45/13/1131594513.db2.gz ZNQFEGXSHLQWTD-LUKYLMHMSA-N 2 0 266.473 3.652 20 30 CHEDRP CCCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453653 1131785463 /nfs/dbraw/zinc/78/54/63/1131785463.db2.gz LXIFHTCFVVRNBX-SJPCQFCGSA-N 2 0 266.473 3.904 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716718472 1132030686 /nfs/dbraw/zinc/03/06/86/1132030686.db2.gz ONHYGIVJFIOLQE-LULLPPNCSA-N 2 0 284.447 3.594 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156945 1132123809 /nfs/dbraw/zinc/12/38/09/1132123809.db2.gz UQGJPFSHRQBAGV-FHQWLQQXSA-N 2 0 270.436 3.664 20 30 CHEDRP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172508345 1132256308 /nfs/dbraw/zinc/25/63/08/1132256308.db2.gz JJAPZOBNSIQVIP-HRCADAONSA-N 2 0 254.462 3.985 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171419 1133540789 /nfs/dbraw/zinc/54/07/89/1133540789.db2.gz PZKYJNZVTXHJIO-HZPDHXFCSA-N 2 0 252.446 3.715 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205904514 1133629002 /nfs/dbraw/zinc/62/90/02/1133629002.db2.gz VRYXSPWPPPXQDA-CVEARBPZSA-N 2 0 254.462 3.796 20 30 CHEDRP CCCCCCC[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582250 1133721784 /nfs/dbraw/zinc/72/17/84/1133721784.db2.gz NALCYXXPBPWSFR-MRXNPFEDSA-N 2 0 254.462 3.809 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606530 1133727092 /nfs/dbraw/zinc/72/70/92/1133727092.db2.gz OFAVXCXOHDNLKU-MRXNPFEDSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCn2c(C)ncc2C1 ZINC001209438215 1134020761 /nfs/dbraw/zinc/02/07/61/1134020761.db2.gz HTTWZSRWNXIDOX-UHFFFAOYSA-N 2 0 261.413 3.534 20 30 CHEDRP C=CCCC[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109678 1135193013 /nfs/dbraw/zinc/19/30/13/1135193013.db2.gz NNKPPKKZBVNQFQ-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222140954 1135198452 /nfs/dbraw/zinc/19/84/52/1135198452.db2.gz AONRBMOTYMIHTJ-KRWDZBQOSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238026 1135212554 /nfs/dbraw/zinc/21/25/54/1135212554.db2.gz YREBZDYCQPLYRN-KRWDZBQOSA-N 2 0 264.457 3.731 20 30 CHEDRP CC[N@H+](CCC1CC[NH+](CCCCC#N)CC1)CC1CC1 ZINC000357089943 266245944 /nfs/dbraw/zinc/24/59/44/266245944.db2.gz VCHBFRSKXOUVKX-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366659096 328252875 /nfs/dbraw/zinc/25/28/75/328252875.db2.gz AHVHZNPZHAIFDU-KRWDZBQOSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CCC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccco1 ZINC000276452608 330113597 /nfs/dbraw/zinc/11/35/97/330113597.db2.gz MGVWHPZKQOQSGQ-INIZCTEOSA-N 2 0 276.424 3.608 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423376965 330198569 /nfs/dbraw/zinc/19/85/69/330198569.db2.gz JPDBSOIWUUEEFJ-CQSZACIVSA-N 2 0 258.409 3.514 20 30 CHEDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423503078 330208512 /nfs/dbraw/zinc/20/85/12/330208512.db2.gz MLAOJKNFEQHHMG-KXBFYZLASA-N 2 0 293.414 3.689 20 30 CHEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453330472 331117707 /nfs/dbraw/zinc/11/77/07/331117707.db2.gz YZYXQTNMLUPECM-LDLYASANSA-N 2 0 284.447 3.738 20 30 CHEDRP C=C(CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453384281 331126323 /nfs/dbraw/zinc/12/63/23/331126323.db2.gz ZNGFNWVZVSZKKV-REPLKXPHSA-N 2 0 284.447 3.738 20 30 CHEDRP C=CCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000488444823 332009526 /nfs/dbraw/zinc/00/95/26/332009526.db2.gz XCTAQHLBECXSRP-QGZVFWFLSA-N 2 0 264.457 3.683 20 30 CHEDRP C=CCC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000544373254 333927571 /nfs/dbraw/zinc/92/75/71/333927571.db2.gz WAKFCBJOKYLLBY-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833110 522632106 /nfs/dbraw/zinc/63/21/06/522632106.db2.gz UFUJGPUGRXJIHX-MJGOQNOKSA-N 2 0 299.462 3.719 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246635730 1131751736 /nfs/dbraw/zinc/75/17/36/1131751736.db2.gz LAPNJBXSCPZQPS-SJORKVTESA-N 2 0 266.473 3.953 20 30 CHEDRP N#Cc1cccc(C[NH2+]CCCCCCC[NH+]2CCCC2)c1 ZINC000729682075 1125544469 /nfs/dbraw/zinc/54/44/69/1125544469.db2.gz JMEIPPMSTMZDRE-UHFFFAOYSA-N 2 0 299.462 3.694 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355044 1125770027 /nfs/dbraw/zinc/77/00/27/1125770027.db2.gz GYZKEXLNMZPXTA-SFHVURJKSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918394 1126758519 /nfs/dbraw/zinc/75/85/19/1126758519.db2.gz DYTNBFTXJBUUQA-QRVBRYPASA-N 2 0 284.447 3.910 20 30 CHEDRP C=CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903172506 1126796701 /nfs/dbraw/zinc/79/67/01/1126796701.db2.gz ZMTYVRGGCVJUKZ-ZNXRZULTSA-N 2 0 276.468 3.870 20 30 CHEDRP C[C@@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185852089 1126903946 /nfs/dbraw/zinc/90/39/46/1126903946.db2.gz GDZNIBWUCBHKQW-WDSOQIARSA-N 2 0 299.462 3.569 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157549865 1127327745 /nfs/dbraw/zinc/32/77/45/1127327745.db2.gz AOOIEBCGQGVXEZ-YESZJQIVSA-N 2 0 266.473 3.952 20 30 CHEDRP C[C@@H](CCC#N)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602439848 1127579446 /nfs/dbraw/zinc/57/94/46/1127579446.db2.gz LQHAXVFNUMDIKI-KRWDZBQOSA-N 2 0 291.483 3.514 20 30 CHEDRP CCN(CC)[C@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602501040 1127583590 /nfs/dbraw/zinc/58/35/90/1127583590.db2.gz CPFHQCLDMFLOES-FUHWJXTLSA-N 2 0 287.451 3.599 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602523054 1127587595 /nfs/dbraw/zinc/58/75/95/1127587595.db2.gz YPTSOSDRVZKPJC-INIZCTEOSA-N 2 0 287.451 3.558 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602522517 1127587672 /nfs/dbraw/zinc/58/76/72/1127587672.db2.gz WYNSESOZPYCZIU-UHFFFAOYSA-N 2 0 299.462 3.700 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535485 1127592327 /nfs/dbraw/zinc/59/23/27/1127592327.db2.gz OEGSYUHNTNFBHB-FUHWJXTLSA-N 2 0 291.483 3.561 20 30 CHEDRP C[C@@H](CC[NH2+]C1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000602574390 1127594266 /nfs/dbraw/zinc/59/42/66/1127594266.db2.gz ZUQKATHPDWJSKK-MUYFXNHWSA-N 2 0 299.462 3.569 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000468368733 1128003276 /nfs/dbraw/zinc/00/32/76/1128003276.db2.gz WJJYXXLOJDAVEF-UXHICEINSA-N 2 0 298.474 3.953 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545271816 1128009464 /nfs/dbraw/zinc/00/94/64/1128009464.db2.gz KMYRWSRXGSQKEC-NEWSRXKRSA-N 2 0 286.463 3.841 20 30 CHEDRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443990568 1128110021 /nfs/dbraw/zinc/11/00/21/1128110021.db2.gz TWMDUKJXVIQYAV-QGZVFWFLSA-N 2 0 299.462 3.611 20 30 CHEDRP C=CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925764876 1128140874 /nfs/dbraw/zinc/14/08/74/1128140874.db2.gz KFWQRSZITXZKBA-ZZJWQFMZSA-N 2 0 284.447 3.957 20 30 CHEDRP C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C[NH+](C)C)c1 ZINC000926426844 1128171489 /nfs/dbraw/zinc/17/14/89/1128171489.db2.gz QRDPFIZUWNNRPX-HNNXBMFYSA-N 2 0 287.451 3.729 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038978 1128210803 /nfs/dbraw/zinc/21/08/03/1128210803.db2.gz QVAKPOTXPNHAPZ-GTPINHCMSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCn2c(C)ncc2C1 ZINC001209442417 1118061288 /nfs/dbraw/zinc/06/12/88/1118061288.db2.gz IBSOGHCBDJIBAJ-UHFFFAOYSA-N 2 0 275.440 3.924 20 30 CHEDRP CCCCCCCCCC[NH+]1CCC([NH2+]C)CC1 ZINC000103501541 1118960282 /nfs/dbraw/zinc/96/02/82/1118960282.db2.gz NDCDZNXYXBOIGT-UHFFFAOYSA-N 2 0 254.462 3.811 20 30 CHEDRP C#Cc1cccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926549257 1119464736 /nfs/dbraw/zinc/46/47/36/1119464736.db2.gz FTLZMSKLPZSWIW-MRXNPFEDSA-N 2 0 292.426 3.580 20 30 CHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCC#N)CC1 ZINC000158946782 1119477380 /nfs/dbraw/zinc/47/73/80/1119477380.db2.gz RTQDPCYFWHYLRM-KRWDZBQOSA-N 2 0 291.483 3.657 20 30 CHEDRP C=C(C)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000508976502 1120568135 /nfs/dbraw/zinc/56/81/35/1120568135.db2.gz HCZLCZSDUXRTGQ-IAGOWNOFSA-N 2 0 286.463 3.699 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922846510 1120611594 /nfs/dbraw/zinc/61/15/94/1120611594.db2.gz LTUFIKLUVDSRGB-RZZCCWGQSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000467404094 1122888276 /nfs/dbraw/zinc/88/82/76/1122888276.db2.gz JFHAKKSGGFXKPY-XYJFISCASA-N 2 0 278.484 3.974 20 30 CHEDRP C=CC[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C(C)(C)C ZINC001168002690 1123171609 /nfs/dbraw/zinc/17/16/09/1123171609.db2.gz UMBWYCKQNKONCO-SJPCQFCGSA-N 2 0 276.468 3.678 20 30 CHEDRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000339070640 1123942042 /nfs/dbraw/zinc/94/20/42/1123942042.db2.gz CKSVZSHBXAASSM-LXZKKBNFSA-N 2 0 294.402 3.524 20 30 CHEDRP C=CC[NH+]1CCC(Nc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302137544 1123956978 /nfs/dbraw/zinc/95/69/78/1123956978.db2.gz BXPDIPQGYJQQBK-UHFFFAOYSA-N 2 0 281.403 3.606 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339082048 1124481846 /nfs/dbraw/zinc/48/18/46/1124481846.db2.gz PAZRPMMYTLZJNC-QZTJIDSGSA-N 2 0 291.483 3.513 20 30 CHEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449084786 1124644041 /nfs/dbraw/zinc/64/40/41/1124644041.db2.gz YTKDUQDRJUBISQ-WWDZGPRUSA-N 2 0 291.483 3.561 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000449332669 1124690795 /nfs/dbraw/zinc/69/07/95/1124690795.db2.gz DQWLXGJZAIWORK-OAHLLOKOSA-N 2 0 284.513 3.538 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246097057 1131310464 /nfs/dbraw/zinc/31/04/64/1131310464.db2.gz NFHRAJZHQKKTLJ-CVEARBPZSA-N 2 0 254.462 3.857 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000876993911 1124995503 /nfs/dbraw/zinc/99/55/03/1124995503.db2.gz VYAJYEQLAWTSED-INIZCTEOSA-N 2 0 291.483 3.561 20 30 CHEDRP C#CCCCCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877188480 1125018601 /nfs/dbraw/zinc/01/86/01/1125018601.db2.gz COLAGRJQWKRZJD-MSOLQXFVSA-N 2 0 290.495 3.813 20 30 CHEDRP C=CCC[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)CCC=C)c1 ZINC000878490125 1125156543 /nfs/dbraw/zinc/15/65/43/1125156543.db2.gz CRDIKOHBVFZLLJ-UHFFFAOYSA-N 2 0 297.446 3.574 20 30 CHEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000532244508 1125245167 /nfs/dbraw/zinc/24/51/67/1125245167.db2.gz XBCZYDXBETYOIB-MOPGFXCFSA-N 2 0 284.447 3.549 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000121545726 1125429677 /nfs/dbraw/zinc/42/96/77/1125429677.db2.gz RXNPXDVTKTVIAO-GOSISDBHSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CCC[C@@H](C)[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001258736170 1129680714 /nfs/dbraw/zinc/68/07/14/1129680714.db2.gz NQEPAPWQJVSQAJ-OAHLLOKOSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651790345 1129748855 /nfs/dbraw/zinc/74/88/55/1129748855.db2.gz TVGUNLZLGXBJQV-HOJAQTOUSA-N 2 0 298.474 3.843 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246219754 1131407675 /nfs/dbraw/zinc/40/76/75/1131407675.db2.gz HNPDLCHZILJBGE-OWSLCNJRSA-N 2 0 280.500 3.959 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902364229 1130003408 /nfs/dbraw/zinc/00/34/08/1130003408.db2.gz QEPMBNHRBGMOCG-WBMJQRKESA-N 2 0 282.378 3.689 20 30 CHEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000902388800 1130005731 /nfs/dbraw/zinc/00/57/31/1130005731.db2.gz QKPKJMLPAZRBFG-ZWKOTPCHSA-N 2 0 299.462 3.789 20 30 CHEDRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000902852829 1130070527 /nfs/dbraw/zinc/07/05/27/1130070527.db2.gz DBPZRLCIBXHFLO-GOSISDBHSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195981 1130127965 /nfs/dbraw/zinc/12/79/65/1130127965.db2.gz DSJXDOBWUKHKGF-XEHBXRSQSA-N 2 0 288.479 3.869 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000793521294 1130562465 /nfs/dbraw/zinc/56/24/65/1130562465.db2.gz JXRQXXDCZGWVMU-YESZJQIVSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033202 1130703122 /nfs/dbraw/zinc/70/31/22/1130703122.db2.gz UYDYWVRKGJXLFG-KRWDZBQOSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152740 1130715076 /nfs/dbraw/zinc/71/50/76/1130715076.db2.gz PBNUJUBMMDBHBM-QGZVFWFLSA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCC/C=C/CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235256990 1130729367 /nfs/dbraw/zinc/72/93/67/1130729367.db2.gz VSSSYWBCNJUHQX-PIIXRYACSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365718 1130736992 /nfs/dbraw/zinc/73/69/92/1130736992.db2.gz PCTLJKYBYUYGKT-PMACEKPBSA-N 2 0 298.474 3.596 20 30 CHEDRP C=CCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012743 1130831147 /nfs/dbraw/zinc/83/11/47/1130831147.db2.gz PDSYYBSSKCSPOZ-UXHICEINSA-N 2 0 298.474 3.596 20 30 CHEDRP CCCCCCCCC[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223948 1130897398 /nfs/dbraw/zinc/89/73/98/1130897398.db2.gz RLHMLGZFLYSTQD-WKILWMFISA-N 2 0 254.462 3.939 20 30 CHEDRP C=CCCC[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236379657 1130923000 /nfs/dbraw/zinc/92/30/00/1130923000.db2.gz DYCVTPQFSLRYPA-UHFFFAOYSA-N 2 0 290.426 3.594 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236407166 1130931029 /nfs/dbraw/zinc/93/10/29/1130931029.db2.gz CPNPGYAHMBYUEQ-SXSDINLZSA-N 2 0 266.473 3.835 20 30 CHEDRP CCCCCCCCCC[N@H+](C)CCC1C[NH2+]C1 ZINC001236424150 1130937098 /nfs/dbraw/zinc/93/70/98/1130937098.db2.gz RQIMTFFRHZXERC-UHFFFAOYSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236604841 1130984049 /nfs/dbraw/zinc/98/40/49/1130984049.db2.gz PQFYVNKEGKBYES-KRWDZBQOSA-N 2 0 266.473 3.964 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380210 1131093402 /nfs/dbraw/zinc/09/34/02/1131093402.db2.gz FZKSWQRWTQVONU-ROUUACIJSA-N 2 0 278.484 3.977 20 30 CHEDRP C[NH+](C)CCCCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000823729458 1131439902 /nfs/dbraw/zinc/43/99/02/1131439902.db2.gz HHMXRDJCOAUJDB-UHFFFAOYSA-N 2 0 279.472 3.561 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC(C[NH3+])CC1 ZINC001246539924 1131581035 /nfs/dbraw/zinc/58/10/35/1131581035.db2.gz TXYMSUWVOJUHMS-MRXNPFEDSA-N 2 0 254.462 3.796 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543840 1131591040 /nfs/dbraw/zinc/59/10/40/1131591040.db2.gz OECCEYAVAUQUHB-ROUUACIJSA-N 2 0 298.515 3.691 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000834895123 1131720095 /nfs/dbraw/zinc/72/00/95/1131720095.db2.gz ZINFXVDHJDXRLR-XVLXNVKGSA-N 2 0 284.447 3.909 20 30 CHEDRP C=C(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716652858 1132028431 /nfs/dbraw/zinc/02/84/31/1132028431.db2.gz UPOIKBJDAGGSTF-FHWLQOOXSA-N 2 0 284.447 3.595 20 30 CHEDRP CCCC[NH+](CCCC)CCC[NH2+][C@H](C)CCCC#N ZINC001172482106 1132229886 /nfs/dbraw/zinc/22/98/86/1132229886.db2.gz BSIRCANICQXZSD-QGZVFWFLSA-N 2 0 281.488 3.951 20 30 CHEDRP CCCCCCCCCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001172564528 1132269602 /nfs/dbraw/zinc/26/96/02/1132269602.db2.gz IEDHIYHXCZTFQF-IRXDYDNUSA-N 2 0 286.504 3.595 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(CC#N)CC1 ZINC001173329102 1132462432 /nfs/dbraw/zinc/46/24/32/1132462432.db2.gz BAMPFKQIEFDSGA-GTPINHCMSA-N 2 0 279.472 3.559 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(CC#N)CC1 ZINC001173329103 1132462655 /nfs/dbraw/zinc/46/26/55/1132462655.db2.gz BAMPFKQIEFDSGA-KLAILNCOSA-N 2 0 279.472 3.559 20 30 CHEDRP CC1(C)C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@](C)(C[NH3+])C1 ZINC001173588602 1132495973 /nfs/dbraw/zinc/49/59/73/1132495973.db2.gz GOTDKLPBHMZMQX-LSCKAKRGSA-N 2 0 291.483 3.592 20 30 CHEDRP CC(C)[Si](C#C[NH2+]C[C@H]1C[NH2+][C@H](C)C1)(C(C)C)C(C)C ZINC001162557513 1133092071 /nfs/dbraw/zinc/09/20/71/1133092071.db2.gz HVGFGDYOAFROFM-SJORKVTESA-N 2 0 294.559 3.753 20 30 CHEDRP C=CCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296416 1133685159 /nfs/dbraw/zinc/68/51/59/1133685159.db2.gz SPEQLPUIRACOSI-INIZCTEOSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC(CC[NH3+])CC1 ZINC001206499734 1133710966 /nfs/dbraw/zinc/71/09/66/1133710966.db2.gz BGWDKOYHFLNVRH-UHFFFAOYSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206581012 1133722185 /nfs/dbraw/zinc/72/21/85/1133722185.db2.gz HGTDRWHMZYJIBM-KRWDZBQOSA-N 2 0 266.473 3.975 20 30 CHEDRP C=C(C)C[N@H+](CC)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291996 1133788546 /nfs/dbraw/zinc/78/85/46/1133788546.db2.gz HWTXKTUHWJAWBT-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP CCCCCCC/C=C/CN1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001208124697 1133881134 /nfs/dbraw/zinc/88/11/34/1133881134.db2.gz YMEWPDVKJHGSIO-BPRGGRAXSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209162893 1133982372 /nfs/dbraw/zinc/98/23/72/1133982372.db2.gz NOJFKFYWOJPGKQ-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP C=CCCCCC[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161834 1135203266 /nfs/dbraw/zinc/20/32/66/1135203266.db2.gz REFVRBONAVJBRT-SFHVURJKSA-N 2 0 278.484 3.979 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)CC1 ZINC001222307853 1135221536 /nfs/dbraw/zinc/22/15/36/1135221536.db2.gz CKMYNFGUUIPYRF-RTBURBONSA-N 2 0 288.479 3.897 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614335 1135256096 /nfs/dbraw/zinc/25/60/96/1135256096.db2.gz CYXUCCPRIPNXSZ-DLBZAZTESA-N 2 0 266.473 3.811 20 30 CHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185785296 262070686 /nfs/dbraw/zinc/07/06/86/262070686.db2.gz USVNPJLEWHBFIF-QFBILLFUSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682807 328213858 /nfs/dbraw/zinc/21/38/58/328213858.db2.gz RZOLPNGUWHMNCU-OLZOCXBDSA-N 2 0 298.883 3.778 20 30 CHEDRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423129785 330171547 /nfs/dbraw/zinc/17/15/47/330171547.db2.gz MGEGVZXLGWYZDN-NVXWUHKLSA-N 2 0 273.424 3.529 20 30 CHEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423291798 330187401 /nfs/dbraw/zinc/18/74/01/330187401.db2.gz JWKYOFUXPWRCOR-CHWSQXEVSA-N 2 0 297.377 3.568 20 30 CHEDRP C=C(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000536893242 330362419 /nfs/dbraw/zinc/36/24/19/330362419.db2.gz LIOHQWKUKWIUHA-IAGOWNOFSA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000119905988 330381445 /nfs/dbraw/zinc/38/14/45/330381445.db2.gz FXYWRJKBKIWJGW-SFHVURJKSA-N 2 0 272.436 3.583 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152473 331825629 /nfs/dbraw/zinc/82/56/29/331825629.db2.gz RCGNWRCMWLJNND-IRXDYDNUSA-N 2 0 293.499 3.807 20 30 CHEDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000174076973 335147697 /nfs/dbraw/zinc/14/76/97/335147697.db2.gz CPZVOKGWJDSGNH-QGZVFWFLSA-N 2 0 299.462 3.865 20 30 CHEDRP C=CCCCC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000577034029 335285866 /nfs/dbraw/zinc/28/58/66/335285866.db2.gz UYFONJRMOHDKAY-INIZCTEOSA-N 2 0 287.451 3.755 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000181511568 1126857014 /nfs/dbraw/zinc/85/70/14/1126857014.db2.gz JHXGMLREGDUDCP-IRXDYDNUSA-N 2 0 299.462 3.721 20 30 CHEDRP C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185852108 1126904072 /nfs/dbraw/zinc/90/40/72/1126904072.db2.gz GDZNIBWUCBHKQW-NEWSRXKRSA-N 2 0 299.462 3.569 20 30 CHEDRP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000602451010 1127577635 /nfs/dbraw/zinc/57/76/35/1127577635.db2.gz NKWHXDAKRXAFPE-KURKYZTESA-N 2 0 291.483 3.513 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000602510224 1127589374 /nfs/dbraw/zinc/58/93/74/1127589374.db2.gz RIVLNCCXESXDQR-QGZVFWFLSA-N 2 0 291.483 3.705 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602513619 1127590076 /nfs/dbraw/zinc/59/00/76/1127590076.db2.gz QCXAQWUDIZLUMY-UHFFFAOYSA-N 2 0 299.462 3.700 20 30 CHEDRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602533402 1127591321 /nfs/dbraw/zinc/59/13/21/1127591321.db2.gz GXTPVVMOOHXARD-INIZCTEOSA-N 2 0 287.451 3.556 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000468368732 1128003804 /nfs/dbraw/zinc/00/38/04/1128003804.db2.gz WJJYXXLOJDAVEF-PMACEKPBSA-N 2 0 298.474 3.953 20 30 CHEDRP C=CCCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764407 1128140859 /nfs/dbraw/zinc/14/08/59/1128140859.db2.gz HDYLAVVBQGMCQA-JQHSSLGASA-N 2 0 272.436 3.672 20 30 CHEDRP CCC[NH+]1CCC([N@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929777730 1128286195 /nfs/dbraw/zinc/28/61/95/1128286195.db2.gz ODDMKKPEWQXXET-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929409 1128396326 /nfs/dbraw/zinc/39/63/26/1128396326.db2.gz NZRZSVOXZAWTKU-ZWKOTPCHSA-N 2 0 278.484 3.835 20 30 CHEDRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000572708174 1128647068 /nfs/dbraw/zinc/64/70/68/1128647068.db2.gz WRNODFJFJZSGDF-LPHOPBHVSA-N 2 0 299.462 3.721 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258044286 1128685933 /nfs/dbraw/zinc/68/59/33/1128685933.db2.gz LCFCMXXWRAEEPS-BBWFWOEESA-N 2 0 266.473 3.619 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000657908923 1119627418 /nfs/dbraw/zinc/62/74/18/1119627418.db2.gz NBHWTYUOCDWFIT-DOTOQJQBSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000658039282 1119670654 /nfs/dbraw/zinc/67/06/54/1119670654.db2.gz XQBMJAIVPBUTOF-RDHHWEPZSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472576939 1119968246 /nfs/dbraw/zinc/96/82/46/1119968246.db2.gz BFZFMAQOOHIBKI-MRXNPFEDSA-N 2 0 252.446 3.539 20 30 CHEDRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443383 1120530083 /nfs/dbraw/zinc/53/00/83/1120530083.db2.gz SIYVRLCWNBLQMV-YOEHRIQHSA-N 2 0 287.451 3.575 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(CC)cc2)CC1 ZINC000152949548 1129013895 /nfs/dbraw/zinc/01/38/95/1129013895.db2.gz FBTPQKRHTAKGPW-MRXNPFEDSA-N 2 0 286.463 3.940 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542071 1122190269 /nfs/dbraw/zinc/19/02/69/1122190269.db2.gz QQTRLLKRULTAEC-INIZCTEOSA-N 2 0 254.462 3.798 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467405619 1122898613 /nfs/dbraw/zinc/89/86/13/1122898613.db2.gz QRBXCERMPZTZCL-RDJZCZTQSA-N 2 0 290.451 3.632 20 30 CHEDRP CCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368965 1122956022 /nfs/dbraw/zinc/95/60/22/1122956022.db2.gz PYTDEYDIWQBDMN-INIZCTEOSA-N 2 0 275.440 3.563 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)N2CCCC[C@H]2C)C1 ZINC001199295881 1123027224 /nfs/dbraw/zinc/02/72/24/1123027224.db2.gz MGCXOKOOQWASHQ-TWMKSMIVSA-N 2 0 264.457 3.584 20 30 CHEDRP CCCCCCCC[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201840151 1123155397 /nfs/dbraw/zinc/15/53/97/1123155397.db2.gz NKQDPATXZPOBLD-IRXDYDNUSA-N 2 0 266.473 3.621 20 30 CHEDRP C=CC[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168065673 1123875113 /nfs/dbraw/zinc/87/51/13/1123875113.db2.gz XKZWKBKPQHFPND-HZPDHXFCSA-N 2 0 272.436 3.546 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517393 1124076976 /nfs/dbraw/zinc/07/69/76/1124076976.db2.gz XOFMWJYKOMCREA-QQFBHYJXSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CCC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012193 1129170056 /nfs/dbraw/zinc/17/00/56/1129170056.db2.gz RUEWUZVTYNCFTE-LSDHHAIUSA-N 2 0 276.424 3.655 20 30 CHEDRP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447511213 1124483173 /nfs/dbraw/zinc/48/31/73/1124483173.db2.gz SKPFORGXKYGIAD-APWZRJJASA-N 2 0 299.462 3.863 20 30 CHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001245989792 1131266361 /nfs/dbraw/zinc/26/63/61/1131266361.db2.gz XZAYGYOTHFISPY-KSZLIROESA-N 2 0 298.515 3.738 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449285295 1124683463 /nfs/dbraw/zinc/68/34/63/1124683463.db2.gz CYHIYLFMIGQXEA-OAHLLOKOSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246108179 1131326387 /nfs/dbraw/zinc/32/63/87/1131326387.db2.gz GBAHQHKRXZCMLQ-PMPSAXMXSA-N 2 0 254.462 3.856 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000530714327 1125173717 /nfs/dbraw/zinc/17/37/17/1125173717.db2.gz DVQVFHVYUJGCEL-OALUTQOASA-N 2 0 299.462 3.548 20 30 CHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000530714365 1125174024 /nfs/dbraw/zinc/17/40/24/1125174024.db2.gz QBSBZRNIABRXTP-RTBURBONSA-N 2 0 299.462 3.548 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001246115609 1131339151 /nfs/dbraw/zinc/33/91/51/1131339151.db2.gz ZBGGRRDQSAOBAE-HRCADAONSA-N 2 0 254.462 3.713 20 30 CHEDRP CC(C)C[N@H+](CCCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879703015 1125226593 /nfs/dbraw/zinc/22/65/93/1125226593.db2.gz BPDHUVZFCBDXPJ-UHFFFAOYSA-N 2 0 293.499 3.616 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H]([NH3+])CC1 ZINC001246154001 1131362471 /nfs/dbraw/zinc/36/24/71/1131362471.db2.gz OWPPUXGCAPDCGX-JYJNAYRXSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000744418863 1129576124 /nfs/dbraw/zinc/57/61/24/1129576124.db2.gz GHIVQDFFKOZWBQ-INIZCTEOSA-N 2 0 254.462 3.621 20 30 CHEDRP C#CCCCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000758497604 1130615237 /nfs/dbraw/zinc/61/52/37/1130615237.db2.gz QTSKPEPRIDRWEQ-UHFFFAOYSA-N 2 0 286.463 3.538 20 30 CHEDRP C=CCCCCCC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235136352 1130713309 /nfs/dbraw/zinc/71/33/09/1130713309.db2.gz WYURLIYSVWFVKT-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC/C=C/C[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235394234 1130739269 /nfs/dbraw/zinc/73/92/69/1130739269.db2.gz CONCELJABRLPHV-LJFOUZCWSA-N 2 0 296.474 3.912 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711248 1130772333 /nfs/dbraw/zinc/77/23/33/1130772333.db2.gz OOTPOGNEYOEYJH-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946949 1130812023 /nfs/dbraw/zinc/81/20/23/1130812023.db2.gz SWGQPOVMIGYUPY-UHFFFAOYSA-N 2 0 296.499 3.604 20 30 CHEDRP C=CCCCCC[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975802 1130821776 /nfs/dbraw/zinc/82/17/76/1130821776.db2.gz WYOKHWLZEHJRQD-UHFFFAOYSA-N 2 0 298.474 3.870 20 30 CHEDRP CCCCCCCC[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633428 1130987013 /nfs/dbraw/zinc/98/70/13/1130987013.db2.gz HNJZWSNQYJVHGK-UHFFFAOYSA-N 2 0 266.473 3.953 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236821654 1131015035 /nfs/dbraw/zinc/01/50/35/1131015035.db2.gz WBFRMSSGNGDCTF-BBWFWOEESA-N 2 0 264.457 3.572 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535476 1131573162 /nfs/dbraw/zinc/57/31/62/1131573162.db2.gz MHDLDFIYOQBLJF-SJORKVTESA-N 2 0 284.488 3.565 20 30 CHEDRP CCCCCCC[C@@H](CC)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246644609 1131765025 /nfs/dbraw/zinc/76/50/25/1131765025.db2.gz IJIYQKRWDGLRGL-HWOWSKLDSA-N 2 0 252.446 3.549 20 30 CHEDRP C=CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072900 1132121286 /nfs/dbraw/zinc/12/12/86/1132121286.db2.gz NVEZDDXVMVECFQ-LDLYASANSA-N 2 0 284.447 3.738 20 30 CHEDRP CCCCCCC/C=C/C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156948 1132123112 /nfs/dbraw/zinc/12/31/12/1132123112.db2.gz UQGJPFSHRQBAGV-USQNJUIBSA-N 2 0 270.436 3.664 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500377 1132250330 /nfs/dbraw/zinc/25/03/30/1132250330.db2.gz NAKJASUUJJRXGJ-MJGOQNOKSA-N 2 0 299.462 3.523 20 30 CHEDRP CCCC[NH+]1CCC([N@H+](C)C2CCC(C)(C#N)CC2)CC1 ZINC001173597174 1132497958 /nfs/dbraw/zinc/49/79/58/1132497958.db2.gz KWMKSOUKWFFIMO-UHFFFAOYSA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC001204655119 1133470744 /nfs/dbraw/zinc/47/07/44/1133470744.db2.gz UDBVERPJLXPKLM-UHFFFAOYSA-N 2 0 252.446 3.589 20 30 CHEDRP C=CC[N@@H+](CC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC001208112604 1133879558 /nfs/dbraw/zinc/87/95/58/1133879558.db2.gz UZYACIXSWHHNDN-UHFFFAOYSA-N 2 0 264.457 3.539 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3C[N@H+](CCC)C[C@H]3C2)CC1 ZINC001208178253 1133898505 /nfs/dbraw/zinc/89/85/05/1133898505.db2.gz PFVKJRYMRDBXRO-QRVBRYPASA-N 2 0 288.479 3.563 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001208178314 1133899585 /nfs/dbraw/zinc/89/95/85/1133899585.db2.gz PXQCOMYBHUOOLT-GOSISDBHSA-N 2 0 288.479 3.707 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209207355 1133987639 /nfs/dbraw/zinc/98/76/39/1133987639.db2.gz VLKHSYFHDWKMPL-PMACEKPBSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCCCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209440433 1134019691 /nfs/dbraw/zinc/01/96/91/1134019691.db2.gz KHEJIRFWPOEUFG-UHFFFAOYSA-N 2 0 287.451 3.649 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226783705 1135741762 /nfs/dbraw/zinc/74/17/62/1135741762.db2.gz GJAFHULUQYXNGD-UHFFFAOYSA-N 2 0 264.457 3.731 20 30 CHEDRP CC(C)[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340451009 328279153 /nfs/dbraw/zinc/27/91/53/328279153.db2.gz ZAINUEUVJRPKJR-IBGZPJMESA-N 2 0 299.462 3.884 20 30 CHEDRP CC(C)[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340451012 328279161 /nfs/dbraw/zinc/27/91/61/328279161.db2.gz ZAINUEUVJRPKJR-LJQANCHMSA-N 2 0 299.462 3.884 20 30 CHEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000530714362 326887397 /nfs/dbraw/zinc/88/73/97/326887397.db2.gz QBSBZRNIABRXTP-MOPGFXCFSA-N 2 0 299.462 3.548 20 30 CHEDRP C=CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422991473 330163228 /nfs/dbraw/zinc/16/32/28/330163228.db2.gz BEZSNMKCQDXVKY-DOTOQJQBSA-N 2 0 260.425 3.801 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423174712 330174721 /nfs/dbraw/zinc/17/47/21/330174721.db2.gz CNQNDYIFAAJZHM-UXPWSPDFSA-N 2 0 292.426 3.908 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423291733 330187474 /nfs/dbraw/zinc/18/74/74/330187474.db2.gz JQDGKMPXRPKMPF-WMLDXEAASA-N 2 0 260.425 3.931 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423291732 330187500 /nfs/dbraw/zinc/18/75/00/330187500.db2.gz JQDGKMPXRPKMPF-RHSMWYFYSA-N 2 0 260.425 3.931 20 30 CHEDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499422 330208044 /nfs/dbraw/zinc/20/80/44/330208044.db2.gz AWTPFUXXTIUFLF-KXBFYZLASA-N 2 0 293.414 3.689 20 30 CHEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423513925 330209329 /nfs/dbraw/zinc/20/93/29/330209329.db2.gz VURVHYWFSVPHTB-UXLLHSPISA-N 2 0 260.425 3.657 20 30 CHEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423513927 330209389 /nfs/dbraw/zinc/20/93/89/330209389.db2.gz VURVHYWFSVPHTB-ZMSDIMECSA-N 2 0 260.425 3.657 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449285294 330911861 /nfs/dbraw/zinc/91/18/61/330911861.db2.gz CYHIYLFMIGQXEA-HNNXBMFYSA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(CC)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000453366239 331123285 /nfs/dbraw/zinc/12/32/85/331123285.db2.gz PJFITMQVMDIOFH-UHFFFAOYSA-N 2 0 286.463 3.985 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488393695 332002889 /nfs/dbraw/zinc/00/28/89/332002889.db2.gz DUGONQMPPZIATG-QGZVFWFLSA-N 2 0 264.457 3.541 20 30 CHEDRP C=CCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549363 333252871 /nfs/dbraw/zinc/25/28/71/333252871.db2.gz QZZHWEWDMIJGNB-IRXDYDNUSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CC[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000552275452 334311646 /nfs/dbraw/zinc/31/16/46/334311646.db2.gz WGQXBEAJJFLGKX-IVMQYODDSA-N 2 0 286.463 3.984 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019914941 520631873 /nfs/dbraw/zinc/63/18/73/520631873.db2.gz DHTJGZHEAHXZCR-CVEARBPZSA-N 2 0 287.451 3.719 20 30 CHEDRP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000278330186 522809310 /nfs/dbraw/zinc/80/93/10/522809310.db2.gz WAWNQPWRFJWHHJ-QGZVFWFLSA-N 2 0 299.462 3.908 20 30 CHEDRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000278852032 522809849 /nfs/dbraw/zinc/80/98/49/522809849.db2.gz VQRODPJVHFEVKJ-GOSISDBHSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000467405833 1122898437 /nfs/dbraw/zinc/89/84/37/1122898437.db2.gz HSMOWZDOIWGUEZ-BQFCYCMXSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246947623 1131830433 /nfs/dbraw/zinc/83/04/33/1131830433.db2.gz GHPDILLYJMHUOB-IAGOWNOFSA-N 2 0 278.484 3.974 20 30 CHEDRP CCCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000160850309 1126780746 /nfs/dbraw/zinc/78/07/46/1126780746.db2.gz BAJDFUOOEZHMBR-MQVJKMGUSA-N 2 0 252.446 3.562 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000287279667 1127299297 /nfs/dbraw/zinc/29/92/97/1127299297.db2.gz CVHIOYFVVBDKON-QGZVFWFLSA-N 2 0 288.435 3.751 20 30 CHEDRP CC[N@H+](CCC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661001 1127393829 /nfs/dbraw/zinc/39/38/29/1127393829.db2.gz VEXRWUFWBQVOCR-SJORKVTESA-N 2 0 291.483 3.703 20 30 CHEDRP CCN(CC)[C@H](C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602502289 1127583775 /nfs/dbraw/zinc/58/37/75/1127583775.db2.gz GLAIZPIONPGDQR-NKELODKYSA-N 2 0 299.462 3.741 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000602509055 1127589526 /nfs/dbraw/zinc/58/95/26/1127589526.db2.gz ARAKZWDXASTMBF-QGZVFWFLSA-N 2 0 299.462 3.702 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000367084574 1127750643 /nfs/dbraw/zinc/75/06/43/1127750643.db2.gz BEECNJYXPFWUFR-HNNXBMFYSA-N 2 0 264.457 3.728 20 30 CHEDRP C[N@H+](CCCCC1(C#N)CCC1)CC[C@H]1CCCC[NH+]1C ZINC000929722341 1128054783 /nfs/dbraw/zinc/05/47/83/1128054783.db2.gz MFDNGJWGEJPOAI-QGZVFWFLSA-N 2 0 291.483 3.657 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924605489 1128107156 /nfs/dbraw/zinc/10/71/56/1128107156.db2.gz GRMDGCTUZDBLLK-INIZCTEOSA-N 2 0 299.462 3.700 20 30 CHEDRP C=C1CCC(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000926927891 1128203975 /nfs/dbraw/zinc/20/39/75/1128203975.db2.gz VVPDNJXKMCQNNA-UHFFFAOYSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)cc1 ZINC000927036995 1128210124 /nfs/dbraw/zinc/21/01/24/1128210124.db2.gz HNVFSLLKQBAXKB-MNNVXMFVSA-N 2 0 297.446 3.616 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174218 1128311903 /nfs/dbraw/zinc/31/19/03/1128311903.db2.gz SNDYCWYZKLMWOR-KRWDZBQOSA-N 2 0 264.457 3.731 20 30 CHEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823551 1128727835 /nfs/dbraw/zinc/72/78/35/1128727835.db2.gz OUEIRFXETCFLNC-MRXNPFEDSA-N 2 0 299.462 3.673 20 30 CHEDRP C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623551187 1117871417 /nfs/dbraw/zinc/87/14/17/1117871417.db2.gz OLWNDVFBLQCAIV-ZWKOTPCHSA-N 2 0 286.463 3.636 20 30 CHEDRP C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668351 1118064063 /nfs/dbraw/zinc/06/40/63/1118064063.db2.gz NNQWAWRJRPOFMH-JKSUJKDBSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CCCC[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091508699 1119257111 /nfs/dbraw/zinc/25/71/11/1119257111.db2.gz NMRAAEYBEUZXAY-INIZCTEOSA-N 2 0 264.457 3.539 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250830954 1119502352 /nfs/dbraw/zinc/50/23/52/1119502352.db2.gz RCGZYVRFJIZZKB-DLBZAZTESA-N 2 0 266.473 3.811 20 30 CHEDRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763652 1128902732 /nfs/dbraw/zinc/90/27/32/1128902732.db2.gz ARQXOPVLXQKVPP-YOEHRIQHSA-N 2 0 287.451 3.575 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCCC)CC2)C1 ZINC000651689426 1120711733 /nfs/dbraw/zinc/71/17/33/1120711733.db2.gz UIHSQPWBNZIVJO-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCC[N@@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167840685 1121052628 /nfs/dbraw/zinc/05/26/28/1121052628.db2.gz HLYQUMBQEUCLIG-INIZCTEOSA-N 2 0 254.462 3.785 20 30 CHEDRP C=C(C)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509372364 1121557103 /nfs/dbraw/zinc/55/71/03/1121557103.db2.gz MFEIMESBBCUGFB-KRWDZBQOSA-N 2 0 278.484 3.929 20 30 CHEDRP C=CCCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062017 1121593825 /nfs/dbraw/zinc/59/38/25/1121593825.db2.gz CYHGFZRAVYSIJD-UHFFFAOYSA-N 2 0 260.425 3.536 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC001183409600 1122221427 /nfs/dbraw/zinc/22/14/27/1122221427.db2.gz NRBQENJAWYSKHG-KLAILNCOSA-N 2 0 266.473 3.974 20 30 CHEDRP C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775393966 1122541003 /nfs/dbraw/zinc/54/10/03/1122541003.db2.gz CKKOALRRLFCMOC-CABCVRRESA-N 2 0 290.451 3.762 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001201567264 1123125980 /nfs/dbraw/zinc/12/59/80/1123125980.db2.gz WGLOOZZIQASILD-KZNAEPCWSA-N 2 0 278.484 3.689 20 30 CHEDRP CCCCCCCCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001201852670 1123152011 /nfs/dbraw/zinc/15/20/11/1123152011.db2.gz GYAYVMHHWORKDC-IAGOWNOFSA-N 2 0 266.473 3.621 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665230609 1123234701 /nfs/dbraw/zinc/23/47/01/1123234701.db2.gz RYVNDDXLJIKIKT-IIDMSEBBSA-N 2 0 287.451 3.634 20 30 CHEDRP C=CCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000850503028 1123276423 /nfs/dbraw/zinc/27/64/23/1123276423.db2.gz ZZINAXQZEJVMHZ-OAHLLOKOSA-N 2 0 290.451 3.764 20 30 CHEDRP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168013669 1123309192 /nfs/dbraw/zinc/30/91/92/1123309192.db2.gz IIPWEJSBYACUAD-IZZQQSIFSA-N 2 0 299.462 3.711 20 30 CHEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000157058468 1129121047 /nfs/dbraw/zinc/12/10/47/1129121047.db2.gz UHQDXJMYAYYGOK-WMZOPIPTSA-N 2 0 272.436 3.547 20 30 CHEDRP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185772939 1123610935 /nfs/dbraw/zinc/61/09/35/1123610935.db2.gz UATVPZJNTFBYPL-SZMVWBNQSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159051159 1129158181 /nfs/dbraw/zinc/15/81/81/1129158181.db2.gz NBVYVIUGZIKLDD-MRXNPFEDSA-N 2 0 264.457 3.539 20 30 CHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000866467422 1124069268 /nfs/dbraw/zinc/06/92/68/1124069268.db2.gz HNUBGFRSTQJZEX-MRXNPFEDSA-N 2 0 299.462 3.719 20 30 CHEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001245989793 1131265748 /nfs/dbraw/zinc/26/57/48/1131265748.db2.gz XZAYGYOTHFISPY-KZNAEPCWSA-N 2 0 298.515 3.738 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CC1(C)C[NH2+]C1 ZINC001246091426 1131305044 /nfs/dbraw/zinc/30/50/44/1131305044.db2.gz AIOHPIJDDQXMAD-INIZCTEOSA-N 2 0 268.489 3.961 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246098570 1131313317 /nfs/dbraw/zinc/31/33/17/1131313317.db2.gz JVPKDGBTQHQURT-PMPSAXMXSA-N 2 0 254.462 3.571 20 30 CHEDRP CCCCCCCCCC[C@@H](C)[NH2+]C1(CO)CC[NH2+]CC1 ZINC001246117540 1131337939 /nfs/dbraw/zinc/33/79/39/1131337939.db2.gz JWBIMVRMUQTNBI-QGZVFWFLSA-N 2 0 298.515 3.610 20 30 CHEDRP CCCCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000740876777 1129422443 /nfs/dbraw/zinc/42/24/43/1129422443.db2.gz FAKFUMNSBIQXFI-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP CCCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740882200 1129422544 /nfs/dbraw/zinc/42/25/44/1129422544.db2.gz HIBAHMWRVYMRSW-JKSUJKDBSA-N 2 0 254.462 3.761 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001258723237 1129578399 /nfs/dbraw/zinc/57/83/99/1129578399.db2.gz YLJQGUPCOVETAN-CYBMUJFWSA-N 2 0 252.446 3.582 20 30 CHEDRP CC(C)[Si](C#C[NH2+]CC[C@H]1CCC[NH2+]1)(C(C)C)C(C)C ZINC001169564588 1129737065 /nfs/dbraw/zinc/73/70/65/1129737065.db2.gz RPEWONIGYFTOHA-QGZVFWFLSA-N 2 0 294.559 3.897 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C1 ZINC000651750078 1129747115 /nfs/dbraw/zinc/74/71/15/1129747115.db2.gz VLKBOUHXKWZTID-BBWFWOEESA-N 2 0 266.473 3.831 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000651758789 1129747995 /nfs/dbraw/zinc/74/79/95/1129747995.db2.gz NVQIVUYOKBGWFA-TVFCKZIOSA-N 2 0 290.495 3.974 20 30 CHEDRP C=CCCC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902381822 1130004665 /nfs/dbraw/zinc/00/46/65/1130004665.db2.gz GPROLSLOLDVFJU-INIZCTEOSA-N 2 0 282.378 3.691 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000793521293 1130562268 /nfs/dbraw/zinc/56/22/68/1130562268.db2.gz JXRQXXDCZGWVMU-ULQDDVLXSA-N 2 0 264.457 3.728 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038294 1130705949 /nfs/dbraw/zinc/70/59/49/1130705949.db2.gz FMKNKWRKYWLFQM-INIZCTEOSA-N 2 0 252.446 3.565 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235433684 1130743452 /nfs/dbraw/zinc/74/34/52/1130743452.db2.gz YDVZJQOTAONIIF-MDZDMXLPSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235810700 1130782226 /nfs/dbraw/zinc/78/22/26/1130782226.db2.gz MLNQOBSXMWQHGO-BJWYYQGGSA-N 2 0 264.457 3.857 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815143415 1130966337 /nfs/dbraw/zinc/96/63/37/1130966337.db2.gz KJSZMHOTOJASBZ-KRWDZBQOSA-N 2 0 266.473 3.765 20 30 CHEDRP C=CCCC[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782937 1131005934 /nfs/dbraw/zinc/00/59/34/1131005934.db2.gz MXVWTXDFCIKQAY-KOMQPUFPSA-N 2 0 252.446 3.713 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236820009 1131014783 /nfs/dbraw/zinc/01/47/83/1131014783.db2.gz PJSSABSYPOYFOD-JDAARJCASA-N 2 0 264.457 3.572 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236822526 1131014982 /nfs/dbraw/zinc/01/49/82/1131014982.db2.gz ZTHZCTPZHTWXFC-RCCFBDPRSA-N 2 0 278.484 3.962 20 30 CHEDRP C=CCCCCCCC[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236833739 1131017864 /nfs/dbraw/zinc/01/78/64/1131017864.db2.gz CDTGRIVFRHTTQW-QGZVFWFLSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCCCC[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236833736 1131018747 /nfs/dbraw/zinc/01/87/47/1131018747.db2.gz CDTGRIVFRHTTQW-KRWDZBQOSA-N 2 0 266.473 3.835 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246316814 1131465962 /nfs/dbraw/zinc/46/59/62/1131465962.db2.gz IUESZVXPFNEHLM-LVQVYYBASA-N 2 0 252.446 3.608 20 30 CHEDRP C=CCCCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001139360715 1131605166 /nfs/dbraw/zinc/60/51/66/1131605166.db2.gz FFVHIQSSUGWFGK-UHFFFAOYSA-N 2 0 269.392 3.660 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227466 1131701967 /nfs/dbraw/zinc/70/19/67/1131701967.db2.gz RRTQREVVJLLCNO-KURKYZTESA-N 2 0 296.499 3.708 20 30 CHEDRP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC001171613346 1132065521 /nfs/dbraw/zinc/06/55/21/1132065521.db2.gz JEAPQZPNEPROLP-CQSZACIVSA-N 2 0 299.462 3.860 20 30 CHEDRP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970172 1132117757 /nfs/dbraw/zinc/11/77/57/1132117757.db2.gz ZFJJYOUJICXOOX-QGZVFWFLSA-N 2 0 272.436 3.595 20 30 CHEDRP C=CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128574 1132128180 /nfs/dbraw/zinc/12/81/80/1132128180.db2.gz SGUQPERGKBZIMQ-REPLKXPHSA-N 2 0 284.447 3.690 20 30 CHEDRP CC(C)[NH+]1CCC(C[N@H+](C)C2CCC(C)(C#N)CC2)CC1 ZINC001173596248 1132498974 /nfs/dbraw/zinc/49/89/74/1132498974.db2.gz PBEACUFHFILJLU-UHFFFAOYSA-N 2 0 291.483 3.511 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001204727854 1133479813 /nfs/dbraw/zinc/47/98/13/1133479813.db2.gz SCIAIJVXFBCKAJ-GOSISDBHSA-N 2 0 288.479 3.755 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763391 1133482237 /nfs/dbraw/zinc/48/22/37/1133482237.db2.gz IMSVYLRLJCMUNT-MRXNPFEDSA-N 2 0 252.446 3.716 20 30 CHEDRP C=CCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952157 1133967894 /nfs/dbraw/zinc/96/78/94/1133967894.db2.gz DAQHTFHWIHKSPW-LJQANCHMSA-N 2 0 286.463 3.797 20 30 CHEDRP C=CCCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164327 1133981872 /nfs/dbraw/zinc/98/18/72/1133981872.db2.gz AWPRCYRMBUZWAF-UXHICEINSA-N 2 0 298.474 3.797 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037200926 260074020 /nfs/dbraw/zinc/07/40/20/260074020.db2.gz IXRXYKMDCFFOOI-CVEARBPZSA-N 2 0 287.451 3.719 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449479808 260637125 /nfs/dbraw/zinc/63/71/25/260637125.db2.gz WGMLAZATDBOYBA-QGZVFWFLSA-N 2 0 286.463 3.638 20 30 CHEDRP CCC[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340448373 263154637 /nfs/dbraw/zinc/15/46/37/263154637.db2.gz RWFULVXUNSTOBF-IBGZPJMESA-N 2 0 299.462 3.886 20 30 CHEDRP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682806 328213928 /nfs/dbraw/zinc/21/39/28/328213928.db2.gz RZOLPNGUWHMNCU-CHWSQXEVSA-N 2 0 298.883 3.778 20 30 CHEDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423290636 330186897 /nfs/dbraw/zinc/18/68/97/330186897.db2.gz DVDNMLJLTKJQIZ-STQMWFEESA-N 2 0 297.377 3.568 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000423296766 330188507 /nfs/dbraw/zinc/18/85/07/330188507.db2.gz ZTAHEBVEUBCDJX-SUMWQHHRSA-N 2 0 258.409 3.541 20 30 CHEDRP C=CCCC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000536995043 330375321 /nfs/dbraw/zinc/37/53/21/330375321.db2.gz KKCJKCBPTPARBP-MRXNPFEDSA-N 2 0 264.457 3.682 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449219033 330907093 /nfs/dbraw/zinc/90/70/93/330907093.db2.gz MASTZLAOWQEUFU-GTPINHCMSA-N 2 0 279.472 3.559 20 30 CHEDRP C=C(C)CN1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459409144 331280289 /nfs/dbraw/zinc/28/02/89/331280289.db2.gz XRQITDVHQHFCOK-UHFFFAOYSA-N 2 0 292.854 3.513 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935785 333240506 /nfs/dbraw/zinc/24/05/06/333240506.db2.gz UYQSYXVLQIXNQG-MOPGFXCFSA-N 2 0 286.463 3.843 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000174386049 335153448 /nfs/dbraw/zinc/15/34/48/335153448.db2.gz MAPVIQJXAPKXSH-UHFFFAOYSA-N 2 0 279.472 3.562 20 30 CHEDRP CCCCCCCCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001201852671 1123151930 /nfs/dbraw/zinc/15/19/30/1123151930.db2.gz GYAYVMHHWORKDC-IRXDYDNUSA-N 2 0 266.473 3.621 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH+]1CC2(CC([NH3+])C2)C1 ZINC001246809593 1131783499 /nfs/dbraw/zinc/78/34/99/1131783499.db2.gz KIQBEWXJDNXVLC-OAHLLOKOSA-N 2 0 252.446 3.549 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172345792 1132180571 /nfs/dbraw/zinc/18/05/71/1132180571.db2.gz COANLEKBDTTXJV-HZPDHXFCSA-N 2 0 254.462 3.667 20 30 CHEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000152950977 1126757462 /nfs/dbraw/zinc/75/74/62/1126757462.db2.gz HIWNLWMEEQPCKE-ZDUSSCGKSA-N 2 0 294.389 3.656 20 30 CHEDRP CCN(CC)[C@@H](C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602502288 1127584140 /nfs/dbraw/zinc/58/41/40/1127584140.db2.gz GLAIZPIONPGDQR-KVZIAJEVSA-N 2 0 299.462 3.741 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602512693 1127589723 /nfs/dbraw/zinc/58/97/23/1127589723.db2.gz MUXOYYJEUIPTKR-INIZCTEOSA-N 2 0 287.451 3.558 20 30 CHEDRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602533408 1127591727 /nfs/dbraw/zinc/59/17/27/1127591727.db2.gz GXTPVVMOOHXARD-MRXNPFEDSA-N 2 0 287.451 3.556 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000602535484 1127592394 /nfs/dbraw/zinc/59/23/94/1127592394.db2.gz OEGSYUHNTNFBHB-AEFFLSMTSA-N 2 0 291.483 3.561 20 30 CHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602590914 1127595183 /nfs/dbraw/zinc/59/51/83/1127595183.db2.gz DFWIVUSBJWNZNX-UHFFFAOYSA-N 2 0 299.462 3.699 20 30 CHEDRP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000605186655 1127731102 /nfs/dbraw/zinc/73/11/02/1127731102.db2.gz AJQWGLPVYRVCAG-KRWDZBQOSA-N 2 0 264.457 3.541 20 30 CHEDRP C[C@@H](CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000411350613 1127856695 /nfs/dbraw/zinc/85/66/95/1127856695.db2.gz SGQUCFVWBHJBBS-IRXDYDNUSA-N 2 0 291.483 3.655 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000924858272 1128115385 /nfs/dbraw/zinc/11/53/85/1128115385.db2.gz ZLPADPNSIDROSM-OAHLLOKOSA-N 2 0 291.483 3.559 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000152992920 1128169185 /nfs/dbraw/zinc/16/91/85/1128169185.db2.gz AYWSQNFRXNHMBP-CQSZACIVSA-N 2 0 284.513 3.537 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235397884 1128327360 /nfs/dbraw/zinc/32/73/60/1128327360.db2.gz RHAVWSMCQWOVMJ-SJORKVTESA-N 2 0 296.474 3.912 20 30 CHEDRP CCC1([NH+](C)C)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931472991 1128363691 /nfs/dbraw/zinc/36/36/91/1128363691.db2.gz YTNQSUQTZKPDAR-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP CCCCCCCCCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257547065 1128590640 /nfs/dbraw/zinc/59/06/40/1128590640.db2.gz LDWDLOIHLWFQBE-INIZCTEOSA-N 2 0 298.519 3.759 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]Cc1ccccc1C[NH3+] ZINC001258041623 1128677197 /nfs/dbraw/zinc/67/71/97/1128677197.db2.gz XTDXXFLXLKLHBA-HNNXBMFYSA-N 2 0 262.441 3.984 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001209439495 1118059626 /nfs/dbraw/zinc/05/96/26/1118059626.db2.gz RIDINFAAFHYWCD-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP C=C(C)CN1CCC([NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628212110 1119558511 /nfs/dbraw/zinc/55/85/11/1119558511.db2.gz KGDVHRJFMYLOAR-KRWDZBQOSA-N 2 0 286.463 3.729 20 30 CHEDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000903778167 1120189656 /nfs/dbraw/zinc/18/96/56/1120189656.db2.gz JVFQKLLWHBVDKF-GOSISDBHSA-N 2 0 291.483 3.547 20 30 CHEDRP C=CC[N@H+](Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248593 1120911869 /nfs/dbraw/zinc/91/18/69/1120911869.db2.gz GZNXADYBVLZYEJ-UHFFFAOYSA-N 2 0 298.455 3.582 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467661 1120983976 /nfs/dbraw/zinc/98/39/76/1120983976.db2.gz HBXUVJNEHCCXMN-ROUUACIJSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843344123 1121325317 /nfs/dbraw/zinc/32/53/17/1121325317.db2.gz RLQYYYLUKACCAG-OAHLLOKOSA-N 2 0 260.425 3.760 20 30 CHEDRP C=CCCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001175601835 1121383080 /nfs/dbraw/zinc/38/30/80/1121383080.db2.gz UQUPAMHLBWIPLV-UHFFFAOYSA-N 2 0 266.473 3.643 20 30 CHEDRP C=CCCCCCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000817930682 1122110115 /nfs/dbraw/zinc/11/01/15/1122110115.db2.gz FNBGMAIULPYMEQ-UHFFFAOYSA-N 2 0 252.446 3.620 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542063 1122190575 /nfs/dbraw/zinc/19/05/75/1122190575.db2.gz QLLIKGJWCNJDOU-KRWDZBQOSA-N 2 0 266.473 3.964 20 30 CHEDRP C=CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159051269 1129157743 /nfs/dbraw/zinc/15/77/43/1129157743.db2.gz NBVYVIUGZIKLDD-INIZCTEOSA-N 2 0 264.457 3.539 20 30 CHEDRP C=C(C)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159060400 1129158095 /nfs/dbraw/zinc/15/80/95/1129158095.db2.gz VGFFJLGWPLPFEX-INIZCTEOSA-N 2 0 264.457 3.539 20 30 CHEDRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000339070642 1123941926 /nfs/dbraw/zinc/94/19/26/1123941926.db2.gz CKSVZSHBXAASSM-YSVLISHTSA-N 2 0 294.402 3.524 20 30 CHEDRP CC(C)[NH+]1CCC(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000865717178 1124007321 /nfs/dbraw/zinc/00/73/21/1124007321.db2.gz RLGTYZKWDGTSRM-UHFFFAOYSA-N 2 0 291.483 3.559 20 30 CHEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000106245594 1124018005 /nfs/dbraw/zinc/01/80/05/1124018005.db2.gz JWPWCPRHRXYZQA-UHFFFAOYSA-N 2 0 286.463 3.940 20 30 CHEDRP C=C(C)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000509654769 1124500304 /nfs/dbraw/zinc/50/03/04/1124500304.db2.gz ASWPIBQSTFFVKG-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238949671 1131275809 /nfs/dbraw/zinc/27/58/09/1131275809.db2.gz ICEKEGVTEMTCOP-IBGZPJMESA-N 2 0 282.431 3.776 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449486744 1124765234 /nfs/dbraw/zinc/76/52/34/1124765234.db2.gz VCHUNTSAMBVGRD-FUHWJXTLSA-N 2 0 286.463 3.699 20 30 CHEDRP C#CCCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000877188483 1125019290 /nfs/dbraw/zinc/01/92/90/1125019290.db2.gz COLAGRJQWKRZJD-QZTJIDSGSA-N 2 0 290.495 3.813 20 30 CHEDRP C=CC[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878338063 1125141847 /nfs/dbraw/zinc/14/18/47/1125141847.db2.gz VGPLVOZUUFHVKR-INIZCTEOSA-N 2 0 287.451 3.585 20 30 CHEDRP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001246116675 1131337209 /nfs/dbraw/zinc/33/72/09/1131337209.db2.gz WRVOVUZGHFJLLY-HZPDHXFCSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC001246139746 1131350915 /nfs/dbraw/zinc/35/09/15/1131350915.db2.gz WJXMSHMDLLFRHW-CVEARBPZSA-N 2 0 266.473 3.857 20 30 CHEDRP C=CCCC(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000639381356 1129309007 /nfs/dbraw/zinc/30/90/07/1129309007.db2.gz NUDAWERWEFEJRR-UHFFFAOYSA-N 2 0 287.451 3.632 20 30 CHEDRP CCCCCCC[N@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139479 1129702135 /nfs/dbraw/zinc/70/21/35/1129702135.db2.gz NMWUJXSUHNNNQD-FVQHAEBGSA-N 2 0 266.473 3.904 20 30 CHEDRP CCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746670421 1129978556 /nfs/dbraw/zinc/97/85/56/1129978556.db2.gz ZYIYGKJXBHXKMW-KRWDZBQOSA-N 2 0 266.473 3.621 20 30 CHEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000902388797 1130005288 /nfs/dbraw/zinc/00/52/88/1130005288.db2.gz QKPKJMLPAZRBFG-ROUUACIJSA-N 2 0 299.462 3.789 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678769132 1130451764 /nfs/dbraw/zinc/45/17/64/1130451764.db2.gz LOYWLDJMIXBSDZ-OXJNMPFZSA-N 2 0 298.474 3.940 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000793526331 1130564818 /nfs/dbraw/zinc/56/48/18/1130564818.db2.gz QPQLMGWVZLHMEY-HOTGVXAUSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991496 1130699965 /nfs/dbraw/zinc/69/99/65/1130699965.db2.gz GHBFRGNFNDAIMU-SFHVURJKSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCC[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152731 1130714455 /nfs/dbraw/zinc/71/44/55/1130714455.db2.gz PBNUJUBMMDBHBM-KRWDZBQOSA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCC[N@H+](CC)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235661979 1130762454 /nfs/dbraw/zinc/76/24/54/1130762454.db2.gz RWONODQXMRUOPI-UHFFFAOYSA-N 2 0 295.496 3.581 20 30 CHEDRP C=C(Cl)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000782536556 1130783310 /nfs/dbraw/zinc/78/33/10/1130783310.db2.gz OYCULUYLWOINCC-UHFFFAOYSA-N 2 0 272.864 3.573 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235893652 1130796425 /nfs/dbraw/zinc/79/64/25/1130796425.db2.gz YEPLBGIILYHAPP-CVEARBPZSA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCCCCCC[N@@H+](CCC)C1CC[NH2+]CC1 ZINC001236180149 1130879494 /nfs/dbraw/zinc/87/94/94/1130879494.db2.gz BKMULFZEWZPETC-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP CCCCCCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000784496078 1130906887 /nfs/dbraw/zinc/90/68/87/1130906887.db2.gz PZGHOOBSVQQSQI-UHFFFAOYSA-N 2 0 286.423 3.636 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236414184 1130932766 /nfs/dbraw/zinc/93/27/66/1130932766.db2.gz KLKJNDUQTPRTIH-HZPDHXFCSA-N 2 0 252.446 3.715 20 30 CHEDRP C#Cc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542225 1130968936 /nfs/dbraw/zinc/96/89/36/1130968936.db2.gz ZSCBQUTYLYPJAH-MXVIHJGJSA-N 2 0 296.458 3.540 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584523 1130980563 /nfs/dbraw/zinc/98/05/63/1130980563.db2.gz HIUBJGFLZVQUFN-ZWKOTPCHSA-N 2 0 288.479 3.753 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236821660 1131013858 /nfs/dbraw/zinc/01/38/58/1131013858.db2.gz WBFRMSSGNGDCTF-YESZJQIVSA-N 2 0 264.457 3.572 20 30 CHEDRP C=CC[NH+](CC=C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237885579 1131148478 /nfs/dbraw/zinc/14/84/78/1131148478.db2.gz ILJVBIYSERCOQF-UHFFFAOYSA-N 2 0 282.431 3.862 20 30 CHEDRP C=CC[N@H+](Cc1cccc2cncn21)C1CCCCC1 ZINC001238115253 1131172388 /nfs/dbraw/zinc/17/23/88/1131172388.db2.gz GRCRBMILSWZDFW-UHFFFAOYSA-N 2 0 269.392 3.655 20 30 CHEDRP CCCCCCC[NH2+]C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246234274 1131419719 /nfs/dbraw/zinc/41/97/19/1131419719.db2.gz VDTAOOBNXWCRFY-HUUCEWRRSA-N 2 0 254.462 3.856 20 30 CHEDRP CCCCCCCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246239830 1131426169 /nfs/dbraw/zinc/42/61/69/1131426169.db2.gz KFZKPDZAOZAQBZ-IRXDYDNUSA-N 2 0 266.473 3.859 20 30 CHEDRP CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246660972 1131779561 /nfs/dbraw/zinc/77/95/61/1131779561.db2.gz QMPIDRMONWUGNO-QAETUUGQSA-N 2 0 266.473 3.937 20 30 CHEDRP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971517 1132117532 /nfs/dbraw/zinc/11/75/32/1132117532.db2.gz IZAZMUXKWGCODG-QGZVFWFLSA-N 2 0 272.436 3.595 20 30 CHEDRP C=CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128573 1132127288 /nfs/dbraw/zinc/12/72/88/1132127288.db2.gz SGUQPERGKBZIMQ-BWTSREIZSA-N 2 0 284.447 3.690 20 30 CHEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172479123 1132228149 /nfs/dbraw/zinc/22/81/49/1132228149.db2.gz JSBHGRVHXOCACV-AOIWGVFYSA-N 2 0 299.462 3.711 20 30 CHEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC001173101882 1132390342 /nfs/dbraw/zinc/39/03/42/1132390342.db2.gz OVNOEEWTNPOHGL-MNNVXMFVSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CC[N@@H+](C1CCC([NH+](CC)CC)CC1)C(C)(C)C ZINC001173113853 1132394676 /nfs/dbraw/zinc/39/46/76/1132394676.db2.gz MZBIZCKQIPBYEL-UHFFFAOYSA-N 2 0 266.473 3.926 20 30 CHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001162403562 1133075504 /nfs/dbraw/zinc/07/55/04/1133075504.db2.gz FHPKQSHINVSQFN-NZSAHSFTSA-N 2 0 299.462 3.691 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727847 1133479555 /nfs/dbraw/zinc/47/95/55/1133479555.db2.gz RUQNJUJTXBLBRC-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC(C[NH3+])CC1 ZINC001205026195 1133518265 /nfs/dbraw/zinc/51/82/65/1133518265.db2.gz NJAQOJLICGYQFR-UHFFFAOYSA-N 2 0 252.446 3.574 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904515 1133628909 /nfs/dbraw/zinc/62/89/09/1133628909.db2.gz VRYXSPWPPPXQDA-HOTGVXAUSA-N 2 0 254.462 3.796 20 30 CHEDRP CCCCCCC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582248 1133721670 /nfs/dbraw/zinc/72/16/70/1133721670.db2.gz NALCYXXPBPWSFR-INIZCTEOSA-N 2 0 254.462 3.809 20 30 CHEDRP C=CCCCCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206579895 1133721771 /nfs/dbraw/zinc/72/17/71/1133721771.db2.gz ARFOFUWSRMGXDC-INIZCTEOSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CCCCCCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001207899769 1133859990 /nfs/dbraw/zinc/85/99/90/1133859990.db2.gz LMVFVZFYZMIDHP-HDICACEKSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209427280 1134017406 /nfs/dbraw/zinc/01/74/06/1134017406.db2.gz MOHMNLWRAVIEGD-UHFFFAOYSA-N 2 0 266.473 3.785 20 30 CHEDRP C=CCCCC[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161624 1135203348 /nfs/dbraw/zinc/20/33/48/1135203348.db2.gz QHIYWYJIMDGFKP-KRWDZBQOSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222230970 1135210963 /nfs/dbraw/zinc/21/09/63/1135210963.db2.gz HWBQDIFWAJYORA-MRXNPFEDSA-N 2 0 252.446 3.565 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615403 1135256659 /nfs/dbraw/zinc/25/66/59/1135256659.db2.gz POLQEDDCSZCKDX-IBHATUTGSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614579 1135256864 /nfs/dbraw/zinc/25/68/64/1135256864.db2.gz HDGOQDUPBUBHEN-ZWKOTPCHSA-N 2 0 278.484 3.977 20 30 CHEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCCC#N)CC1 ZINC000284323479 263086355 /nfs/dbraw/zinc/08/63/55/263086355.db2.gz ZYBKALKOKCYDLH-UHFFFAOYSA-N 2 0 299.462 3.713 20 30 CHEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423154602 330173349 /nfs/dbraw/zinc/17/33/49/330173349.db2.gz JSYPYWJKGQTDSW-YESZJQIVSA-N 2 0 276.468 3.633 20 30 CHEDRP C=C(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000536893244 330362451 /nfs/dbraw/zinc/36/24/51/330362451.db2.gz LIOHQWKUKWIUHA-IRXDYDNUSA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000486796021 331945099 /nfs/dbraw/zinc/94/50/99/331945099.db2.gz AEVFQKZERFDDFU-UHFFFAOYSA-N 2 0 264.457 3.541 20 30 CHEDRP C=CCCCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000488444822 332009373 /nfs/dbraw/zinc/00/93/73/332009373.db2.gz XCTAQHLBECXSRP-KRWDZBQOSA-N 2 0 264.457 3.683 20 30 CHEDRP C=CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000488467084 332012121 /nfs/dbraw/zinc/01/21/21/332012121.db2.gz QOSQBMLUCWKLLZ-HZPDHXFCSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000177913727 333065513 /nfs/dbraw/zinc/06/55/13/333065513.db2.gz ZPYFKVVMJGNVSF-KRWDZBQOSA-N 2 0 286.463 3.913 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000130531759 333850422 /nfs/dbraw/zinc/85/04/22/333850422.db2.gz WQAXJGRDOIQXRH-MRXNPFEDSA-N 2 0 274.452 3.973 20 30 CHEDRP C=C[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353408152 527570279 /nfs/dbraw/zinc/57/02/79/527570279.db2.gz YWWOUPCADSWUAJ-ZLPCBKJTSA-N 2 0 272.436 3.594 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353415621 528115823 /nfs/dbraw/zinc/11/58/23/528115823.db2.gz VZXCHWAIPDPPGA-BEFAXECRSA-N 2 0 299.462 3.646 20 30 CHEDRP CCCCCCC[C@@H](CCC)[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246612224 1131717470 /nfs/dbraw/zinc/71/74/70/1131717470.db2.gz HUUUAUUJYCLALF-MRXNPFEDSA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000160809641 1126773924 /nfs/dbraw/zinc/77/39/24/1126773924.db2.gz AYLRHKZYEGFUMS-OAHLLOKOSA-N 2 0 254.462 3.667 20 30 CHEDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000181512489 1126857020 /nfs/dbraw/zinc/85/70/20/1126857020.db2.gz WBAQLNDCTAFZJD-KRWDZBQOSA-N 2 0 299.462 3.721 20 30 CHEDRP C[C@@H](NC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827482 1126903267 /nfs/dbraw/zinc/90/32/67/1126903267.db2.gz AUCZOFNQWWTKMJ-RYRKJORJSA-N 2 0 299.462 3.788 20 30 CHEDRP C[C@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185852070 1126904217 /nfs/dbraw/zinc/90/42/17/1126904217.db2.gz GDZNIBWUCBHKQW-NZSAHSFTSA-N 2 0 299.462 3.569 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429800 1130744360 /nfs/dbraw/zinc/74/43/60/1130744360.db2.gz ZWAATVYUDDITOS-DLBZAZTESA-N 2 0 266.473 3.668 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000358325514 1127415294 /nfs/dbraw/zinc/41/52/94/1127415294.db2.gz DYTNBFTXJBUUQA-QYZOEREBSA-N 2 0 284.447 3.910 20 30 CHEDRP C[C@@H](CCC#N)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000602480859 1127584191 /nfs/dbraw/zinc/58/41/91/1127584191.db2.gz ZOKZQJICLUWVBT-KRWDZBQOSA-N 2 0 291.483 3.514 20 30 CHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)CCC#N)CC1)CC(C)C ZINC000411438211 1127860300 /nfs/dbraw/zinc/86/03/00/1127860300.db2.gz BLGVZXHVNFCPAW-QGZVFWFLSA-N 2 0 293.499 3.759 20 30 CHEDRP CC[C@@H](CC#N)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719918264 1127868381 /nfs/dbraw/zinc/86/83/81/1127868381.db2.gz RMYMJJNSXCZUOX-IBGZPJMESA-N 2 0 299.462 3.523 20 30 CHEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000540147719 1127962749 /nfs/dbraw/zinc/96/27/49/1127962749.db2.gz PWPVSUASAPKXII-AEFFLSMTSA-N 2 0 278.484 3.689 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](C)CCC2CCCC2)CC1 ZINC000468366749 1128003593 /nfs/dbraw/zinc/00/35/93/1128003593.db2.gz IKZAGKXWSWPWRF-MRXNPFEDSA-N 2 0 278.484 3.975 20 30 CHEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000924957715 1128117996 /nfs/dbraw/zinc/11/79/96/1128117996.db2.gz HZEPKIWQXVFAQP-OAHLLOKOSA-N 2 0 287.451 3.556 20 30 CHEDRP C=CCC(C)(C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925678704 1128137133 /nfs/dbraw/zinc/13/71/33/1128137133.db2.gz WLPIPKHEKATREP-INIZCTEOSA-N 2 0 260.425 3.659 20 30 CHEDRP CCC1([NH3+])CC[NH+]([C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000925756871 1128140554 /nfs/dbraw/zinc/14/05/54/1128140554.db2.gz BIKOAARPFBXBJL-GOSISDBHSA-N 2 0 297.446 3.529 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235255191 1128316681 /nfs/dbraw/zinc/31/66/81/1128316681.db2.gz LPXOBLNEVTZXLV-QZTJIDSGSA-N 2 0 278.484 3.977 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562638 1117872658 /nfs/dbraw/zinc/87/26/58/1117872658.db2.gz YGAIGXJPQZQVSA-BZUAXINKSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001209442432 1118060931 /nfs/dbraw/zinc/06/09/31/1118060931.db2.gz RUMIYFOJKPTXAM-UHFFFAOYSA-N 2 0 266.473 3.929 20 30 CHEDRP C=CCCCCCCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209446412 1118064914 /nfs/dbraw/zinc/06/49/14/1118064914.db2.gz YCAJBZWSOSVJEX-UHFFFAOYSA-N 2 0 278.484 3.931 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000658039284 1119670253 /nfs/dbraw/zinc/67/02/53/1119670253.db2.gz XQBMJAIVPBUTOF-VXLLPVPCSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821380 1120573599 /nfs/dbraw/zinc/57/35/99/1120573599.db2.gz NXNDBPHHWOBLGH-UHFFFAOYSA-N 2 0 287.451 3.586 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661419 1121517384 /nfs/dbraw/zinc/51/73/84/1121517384.db2.gz SCWCSYFAGCYADZ-FRYIKTPZSA-N 2 0 298.474 3.841 20 30 CHEDRP C#C[C@](C)(CC)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001194504738 1122781037 /nfs/dbraw/zinc/78/10/37/1122781037.db2.gz DNBIIXFLQVQYGY-LJQANCHMSA-N 2 0 284.447 3.564 20 30 CHEDRP C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467405618 1122898330 /nfs/dbraw/zinc/89/83/30/1122898330.db2.gz QRBXCERMPZTZCL-NVXWUHKLSA-N 2 0 290.451 3.632 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC001199295879 1123027183 /nfs/dbraw/zinc/02/71/83/1123027183.db2.gz MGCXOKOOQWASHQ-HZMVEIRTSA-N 2 0 264.457 3.584 20 30 CHEDRP CCCCCCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201798246 1123150634 /nfs/dbraw/zinc/15/06/34/1123150634.db2.gz SBKPXMYVSSSMDF-UHFFFAOYSA-N 2 0 296.499 3.532 20 30 CHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCC(C)(C)C#N)cc1 ZINC000859213890 1123691113 /nfs/dbraw/zinc/69/11/13/1123691113.db2.gz BUAZRVNLVVDVHJ-UHFFFAOYSA-N 2 0 287.451 3.510 20 30 CHEDRP C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390909139 1125115541 /nfs/dbraw/zinc/11/55/41/1125115541.db2.gz UZPAYBCAYRTTQR-GOSISDBHSA-N 2 0 286.463 3.843 20 30 CHEDRP C=CC[C@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574328 1125163330 /nfs/dbraw/zinc/16/33/30/1125163330.db2.gz QBNNWXZQFNULNS-GOEBONIOSA-N 2 0 292.492 3.775 20 30 CHEDRP CCCCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128118451 1125240597 /nfs/dbraw/zinc/24/05/97/1125240597.db2.gz GFDGWSHEZHJANM-IAGOWNOFSA-N 2 0 266.473 3.953 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250795133 1129497789 /nfs/dbraw/zinc/49/77/89/1129497789.db2.gz AOOIEBCGQGVXEZ-ULQDDVLXSA-N 2 0 266.473 3.952 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000651731210 1129746346 /nfs/dbraw/zinc/74/63/46/1129746346.db2.gz IWUHKYZYJHJCOG-NVXWUHKLSA-N 2 0 276.468 3.728 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000768517870 1129862940 /nfs/dbraw/zinc/86/29/40/1129862940.db2.gz PQETUBCWASXBCX-QGZVFWFLSA-N 2 0 298.515 3.560 20 30 CHEDRP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001246216793 1131405107 /nfs/dbraw/zinc/40/51/07/1131405107.db2.gz ITUQLOYMVXEBGJ-MSOLQXFVSA-N 2 0 298.515 3.610 20 30 CHEDRP C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903216451 1130131284 /nfs/dbraw/zinc/13/12/84/1130131284.db2.gz AZEFDDVVCYVIEL-ZXFUBFMLSA-N 2 0 276.468 3.726 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000678774995 1130453500 /nfs/dbraw/zinc/45/35/00/1130453500.db2.gz WKYDRADQKMSPOO-OAHLLOKOSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030918 1130703374 /nfs/dbraw/zinc/70/33/74/1130703374.db2.gz IGRKUXMIXOMRBC-IJDCCNJMSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235090924 1130709643 /nfs/dbraw/zinc/70/96/43/1130709643.db2.gz UAGLQJFPPSALKZ-OAHLLOKOSA-N 2 0 288.426 3.668 20 30 CHEDRP C=CCCCCC[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235150774 1130714057 /nfs/dbraw/zinc/71/40/57/1130714057.db2.gz ADQRAPWHRQEJQR-QGZVFWFLSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCC/C=C/CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235256986 1130728720 /nfs/dbraw/zinc/72/87/20/1130728720.db2.gz VSSSYWBCNJUHQX-IBHATUTGSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337913 1130733339 /nfs/dbraw/zinc/73/33/39/1130733339.db2.gz LVIYXZCXGKABNR-KRWDZBQOSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424769 1130742134 /nfs/dbraw/zinc/74/21/34/1130742134.db2.gz JOPWJXVPJGZGLN-MSOLQXFVSA-N 2 0 278.484 3.835 20 30 CHEDRP CCCCCCCCCC[NH+]1CC2(CC([NH3+])C2)C1 ZINC001235820287 1130783316 /nfs/dbraw/zinc/78/33/16/1130783316.db2.gz LRTOHXUAUTXSJY-UHFFFAOYSA-N 2 0 252.446 3.550 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC001236212112 1130889497 /nfs/dbraw/zinc/88/94/97/1130889497.db2.gz DLTBPEMTSRZXBN-WWDZGPRUSA-N 2 0 276.468 3.751 20 30 CHEDRP C=CCCC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518774 1130961725 /nfs/dbraw/zinc/96/17/25/1130961725.db2.gz WRJIOFDPEFXFCL-UHFFFAOYSA-N 2 0 290.426 3.654 20 30 CHEDRP CCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000815209438 1130972948 /nfs/dbraw/zinc/97/29/48/1130972948.db2.gz WKMQFICVEOVIAR-JWTNVVGKSA-N 2 0 296.499 3.530 20 30 CHEDRP C=CCCCCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571347 1130978596 /nfs/dbraw/zinc/97/85/96/1130978596.db2.gz BVDOGQBWPWOCAS-JCNLHEQBSA-N 2 0 264.457 3.857 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236603929 1130982348 /nfs/dbraw/zinc/98/23/48/1130982348.db2.gz FHBKJSLZSBYKHT-ZNFPLGDCSA-N 2 0 252.446 3.574 20 30 CHEDRP CCCCCCC[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633439 1130987322 /nfs/dbraw/zinc/98/73/22/1130987322.db2.gz HZCLFRIICBPHAJ-UHFFFAOYSA-N 2 0 252.446 3.563 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236821656 1131014569 /nfs/dbraw/zinc/01/45/69/1131014569.db2.gz WBFRMSSGNGDCTF-GVDBMIGSSA-N 2 0 264.457 3.572 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237055722 1131042971 /nfs/dbraw/zinc/04/29/71/1131042971.db2.gz FHGMGQLUTCHMHL-INIZCTEOSA-N 2 0 252.446 3.574 20 30 CHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000817977758 1131194271 /nfs/dbraw/zinc/19/42/71/1131194271.db2.gz OERUFNURZWDVJD-ZIAGYGMSSA-N 2 0 296.842 3.596 20 30 CHEDRP CCCCCCC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246228988 1131415706 /nfs/dbraw/zinc/41/57/06/1131415706.db2.gz HTQCFWMXIBGNFC-GJZGRUSLSA-N 2 0 254.462 3.713 20 30 CHEDRP CCCCCCC[NH2+][C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246227591 1131415987 /nfs/dbraw/zinc/41/59/87/1131415987.db2.gz DNZRKEKLTRYTFS-CVEARBPZSA-N 2 0 254.462 3.857 20 30 CHEDRP C#C[C@H](CC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000824363687 1131465684 /nfs/dbraw/zinc/46/56/84/1131465684.db2.gz HXNXNPSWYDDHAK-OAHLLOKOSA-N 2 0 278.484 3.667 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246648117 1131775580 /nfs/dbraw/zinc/77/55/80/1131775580.db2.gz KWIWIKCJAZTEJU-JKSUJKDBSA-N 2 0 252.446 3.563 20 30 CHEDRP CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246659961 1131778808 /nfs/dbraw/zinc/77/88/08/1131778808.db2.gz NIMFRHZJFHATCY-QAETUUGQSA-N 2 0 266.473 3.937 20 30 CHEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734086 1132030870 /nfs/dbraw/zinc/03/08/70/1132030870.db2.gz TWLNZMRWGVQKGE-FHWLQOOXSA-N 2 0 284.447 3.595 20 30 CHEDRP C#CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064900 1132126295 /nfs/dbraw/zinc/12/62/95/1132126295.db2.gz ILAKGWIQEHUJBU-ACDBMABISA-N 2 0 296.458 3.575 20 30 CHEDRP CC(C)[PH+](CC[NH2+][C@@H](C)CCCC#N)C(C)C ZINC001172491258 1132246979 /nfs/dbraw/zinc/24/69/79/1132246979.db2.gz FTOPXXHOUNULNY-AWEZNQCLSA-N 2 0 256.374 3.957 20 30 CHEDRP C[C@@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172504712 1132254093 /nfs/dbraw/zinc/25/40/93/1132254093.db2.gz IDTXRDYIAPNVMN-KRWDZBQOSA-N 2 0 299.462 3.665 20 30 CHEDRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331234 1132462598 /nfs/dbraw/zinc/46/25/98/1132462598.db2.gz AOCYTDBTGWLIKV-LRYGQEGESA-N 2 0 299.462 3.556 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606529 1133726699 /nfs/dbraw/zinc/72/66/99/1133726699.db2.gz OFAVXCXOHDNLKU-INIZCTEOSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCC[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001209156966 1133982593 /nfs/dbraw/zinc/98/25/93/1133982593.db2.gz MGNMGTZAKBBDET-UHFFFAOYSA-N 2 0 295.430 3.631 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209445341 1134025144 /nfs/dbraw/zinc/02/51/44/1134025144.db2.gz IVTSULWDMRGWSG-UHFFFAOYSA-N 2 0 278.484 3.931 20 30 CHEDRP CCCCCCCCCC[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222203997 1135207094 /nfs/dbraw/zinc/20/70/94/1135207094.db2.gz SDPIVRCJLMQCHG-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307733 1135221873 /nfs/dbraw/zinc/22/18/73/1135221873.db2.gz ATICIYYMXLKQGM-MRXNPFEDSA-N 2 0 252.446 3.565 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827828 262398371 /nfs/dbraw/zinc/39/83/71/262398371.db2.gz KCGGQIPQQILJJY-JKSUJKDBSA-N 2 0 279.472 3.511 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948613 263368028 /nfs/dbraw/zinc/36/80/28/263368028.db2.gz VDDVTIFANFZAED-ZWKOTPCHSA-N 2 0 272.436 3.768 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185762042 327844658 /nfs/dbraw/zinc/84/46/58/327844658.db2.gz QSJRXHHXYAJMOK-QFBILLFUSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CC1CC[NH+](CCCC[NH+]2CCC(C=C)CC2)CC1 ZINC000534275456 328043286 /nfs/dbraw/zinc/04/32/86/328043286.db2.gz QHSLETNYSFOKLU-UHFFFAOYSA-N 2 0 276.468 3.563 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000530714364 326887435 /nfs/dbraw/zinc/88/74/35/326887435.db2.gz QBSBZRNIABRXTP-RBUKOAKNSA-N 2 0 299.462 3.548 20 30 CHEDRP C=C(Cl)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000272929109 330087419 /nfs/dbraw/zinc/08/74/19/330087419.db2.gz SFKFIHMVTCMUSC-UHFFFAOYSA-N 2 0 299.245 3.647 20 30 CHEDRP C=CCN1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275615117 330110875 /nfs/dbraw/zinc/11/08/75/330110875.db2.gz RKQXEPVXPUTXRK-MJGOQNOKSA-N 2 0 284.447 3.563 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423291731 330187372 /nfs/dbraw/zinc/18/73/72/330187372.db2.gz JQDGKMPXRPKMPF-PBHICJAKSA-N 2 0 260.425 3.931 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292923 330187690 /nfs/dbraw/zinc/18/76/90/330187690.db2.gz OYYLXIFMNLDXOX-HUUCEWRRSA-N 2 0 260.425 3.931 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423503712 330208382 /nfs/dbraw/zinc/20/83/82/330208382.db2.gz NATXLCSXRZLKSX-SJORKVTESA-N 2 0 260.425 3.801 20 30 CHEDRP C=CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000120197942 330386260 /nfs/dbraw/zinc/38/62/60/330386260.db2.gz GKRWDJQSJKLZBP-AEFFLSMTSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000537046892 330394275 /nfs/dbraw/zinc/39/42/75/330394275.db2.gz PUXDXDSRCAILPO-SJORKVTESA-N 2 0 264.457 3.539 20 30 CHEDRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447543985 330869447 /nfs/dbraw/zinc/86/94/47/330869447.db2.gz UKZCEWLBNFCOTH-LJQANCHMSA-N 2 0 299.462 3.721 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449219034 330907060 /nfs/dbraw/zinc/90/70/60/330907060.db2.gz MASTZLAOWQEUFU-KLAILNCOSA-N 2 0 279.472 3.559 20 30 CHEDRP C=CCC[C@H](CCC)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000462042385 331316939 /nfs/dbraw/zinc/31/69/39/331316939.db2.gz VDVVRHPDFNZNMW-HNNXBMFYSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000467412776 331418229 /nfs/dbraw/zinc/41/82/29/331418229.db2.gz UJMCNYBRKWUZSQ-WBVHZDCISA-N 2 0 290.451 3.632 20 30 CHEDRP C[N@H+](CCC[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000135138709 334117211 /nfs/dbraw/zinc/11/72/11/334117211.db2.gz ITDVVQJSKNULTI-UHFFFAOYSA-N 2 0 279.472 3.561 20 30 CHEDRP C=CCCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548159020 334143820 /nfs/dbraw/zinc/14/38/20/334143820.db2.gz PBEFKEXSDJJJDP-IEBWSBKVSA-N 2 0 286.463 3.843 20 30 CHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245925315 334224201 /nfs/dbraw/zinc/22/42/01/334224201.db2.gz RKUVWSGFKMCAHW-SJLPKXTDSA-N 2 0 299.462 3.577 20 30 CHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245931412 334224508 /nfs/dbraw/zinc/22/45/08/334224508.db2.gz SLYBXCWGTJQQCV-AEFFLSMTSA-N 2 0 299.462 3.577 20 30 CHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccco1 ZINC000554586524 334441198 /nfs/dbraw/zinc/44/11/98/334441198.db2.gz ZYZYGSDRCNVTGC-INIZCTEOSA-N 2 0 276.424 3.608 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650756264 1119413621 /nfs/dbraw/zinc/41/36/21/1119413621.db2.gz XXDDFDADZPGVMT-ZDUSSCGKSA-N 2 0 264.388 3.509 20 30 CHEDRP CC[NH+](CC)CCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000338236979 1126726486 /nfs/dbraw/zinc/72/64/86/1126726486.db2.gz QCKHGMYBDSLPSB-MRXNPFEDSA-N 2 0 287.451 3.673 20 30 CHEDRP C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903209429 1126797735 /nfs/dbraw/zinc/79/77/35/1126797735.db2.gz KPGOPBMBIBGVBN-ZXFUBFMLSA-N 2 0 276.468 3.726 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405491 1130738365 /nfs/dbraw/zinc/73/83/65/1130738365.db2.gz PHXARJHFUITYAC-DLBZAZTESA-N 2 0 284.463 3.761 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094579 1130857050 /nfs/dbraw/zinc/85/70/50/1130857050.db2.gz UVRNLDHWICZMMN-CVEARBPZSA-N 2 0 252.446 3.572 20 30 CHEDRP C=C[C@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@H]1C=C ZINC000489437280 1127103688 /nfs/dbraw/zinc/10/36/88/1127103688.db2.gz NUOKIHNIAUYHJE-BJDFZXPUSA-N 2 0 274.452 3.624 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(CC[C@H]2[NH3+])CC1 ZINC001237357303 1131090295 /nfs/dbraw/zinc/09/02/95/1131090295.db2.gz SAFVMRKGAZUNNV-MRXNPFEDSA-N 2 0 266.473 3.940 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572242607 1127196894 /nfs/dbraw/zinc/19/68/94/1127196894.db2.gz SGGFTNKDTUHYIZ-SJLPKXTDSA-N 2 0 284.447 3.738 20 30 CHEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591571005 1127309554 /nfs/dbraw/zinc/30/95/54/1127309554.db2.gz SKQZWQHEPXDANV-RKVPGOIHSA-N 2 0 285.435 3.520 20 30 CHEDRP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(C#N)cc1 ZINC000593323095 1127538110 /nfs/dbraw/zinc/53/81/10/1127538110.db2.gz PLJDLARQCQPYIH-LJQANCHMSA-N 2 0 293.414 3.519 20 30 CHEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109704 1127631073 /nfs/dbraw/zinc/63/10/73/1127631073.db2.gz FDNFAJREIPRXBR-KRWDZBQOSA-N 2 0 299.462 3.817 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229152 1128126262 /nfs/dbraw/zinc/12/62/62/1128126262.db2.gz MLEPTVRZCLWBOV-GTPINHCMSA-N 2 0 291.483 3.701 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229153 1128126298 /nfs/dbraw/zinc/12/62/98/1128126298.db2.gz MLEPTVRZCLWBOV-KLAILNCOSA-N 2 0 291.483 3.701 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000152992804 1128168660 /nfs/dbraw/zinc/16/86/60/1128168660.db2.gz AYWSQNFRXNHMBP-AWEZNQCLSA-N 2 0 284.513 3.537 20 30 CHEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(C#N)cc1 ZINC000927036999 1128210512 /nfs/dbraw/zinc/21/05/12/1128210512.db2.gz HNVFSLLKQBAXKB-VNCLNFNDSA-N 2 0 297.446 3.616 20 30 CHEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823550 1128727519 /nfs/dbraw/zinc/72/75/19/1128727519.db2.gz OUEIRFXETCFLNC-INIZCTEOSA-N 2 0 299.462 3.673 20 30 CHEDRP CCC(CC)[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCC1 ZINC000174262068 1117802784 /nfs/dbraw/zinc/80/27/84/1117802784.db2.gz USOQPYNEBIBJFI-KRWDZBQOSA-N 2 0 293.499 3.807 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623551184 1117870931 /nfs/dbraw/zinc/87/09/31/1117870931.db2.gz OLWNDVFBLQCAIV-MSOLQXFVSA-N 2 0 286.463 3.636 20 30 CHEDRP C=CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236454039 1128771285 /nfs/dbraw/zinc/77/12/85/1128771285.db2.gz UXVVADLFCXQVJE-UHFFFAOYSA-N 2 0 292.854 3.860 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000471598753 1118483281 /nfs/dbraw/zinc/48/32/81/1118483281.db2.gz YFVUKEDVKWOUHE-WMZOPIPTSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000471610787 1118493487 /nfs/dbraw/zinc/49/34/87/1118493487.db2.gz NVBBXDIKSFUDLD-SJLPKXTDSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCC1 ZINC000657703526 1119258493 /nfs/dbraw/zinc/25/84/93/1119258493.db2.gz ZMQPVNDEVYSVTE-UHFFFAOYSA-N 2 0 296.418 3.554 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000228082689 1120768591 /nfs/dbraw/zinc/76/85/91/1120768591.db2.gz URTCENJMYGCFKC-KRWDZBQOSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512661422 1121517153 /nfs/dbraw/zinc/51/71/53/1121517153.db2.gz SCWCSYFAGCYADZ-OJAHFUOMSA-N 2 0 298.474 3.841 20 30 CHEDRP C=C(CC)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191359818 1122596263 /nfs/dbraw/zinc/59/62/63/1122596263.db2.gz ZCNZIRDAAWZAOY-FQEVSTJZSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000467404089 1122887584 /nfs/dbraw/zinc/88/75/84/1122887584.db2.gz JFHAKKSGGFXKPY-BQFCYCMXSA-N 2 0 278.484 3.974 20 30 CHEDRP C[C@H]1CC([NH2+]CCCCC#N)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013667 1123309223 /nfs/dbraw/zinc/30/92/23/1123309223.db2.gz IIPWEJSBYACUAD-IRXDYDNUSA-N 2 0 299.462 3.711 20 30 CHEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157058308 1129120893 /nfs/dbraw/zinc/12/08/93/1129120893.db2.gz UHQDXJMYAYYGOK-AEFFLSMTSA-N 2 0 272.436 3.547 20 30 CHEDRP CCCCCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000863540006 1123875968 /nfs/dbraw/zinc/87/59/68/1123875968.db2.gz PKWDGJUPKVCDDW-NVXWUHKLSA-N 2 0 262.441 3.505 20 30 CHEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC001245990973 1131265423 /nfs/dbraw/zinc/26/54/23/1131265423.db2.gz ADHIXNPPOLCDJM-QZTJIDSGSA-N 2 0 298.515 3.610 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000448032057 1124558402 /nfs/dbraw/zinc/55/84/02/1124558402.db2.gz VTSDAPNLBDRQAW-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@H](CCC)[NH2+]CC1(C)C[NH2+]C1 ZINC001246093834 1131306042 /nfs/dbraw/zinc/30/60/42/1131306042.db2.gz LBQFYSMRQKHLNP-HNNXBMFYSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246097058 1131310429 /nfs/dbraw/zinc/31/04/29/1131310429.db2.gz NFHRAJZHQKKTLJ-HOTGVXAUSA-N 2 0 254.462 3.857 20 30 CHEDRP C=CCC1(C[NH2+]C2CC[NH+](CCC)CC2)CCCC1 ZINC000449607077 1124813511 /nfs/dbraw/zinc/81/35/11/1124813511.db2.gz VOKMWPVLOHQOCO-UHFFFAOYSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC001246106614 1131324003 /nfs/dbraw/zinc/32/40/03/1131324003.db2.gz DZLBMEILCBSIRA-IRXDYDNUSA-N 2 0 268.489 3.961 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C[C@H]1C ZINC001246109317 1131328908 /nfs/dbraw/zinc/32/89/08/1131328908.db2.gz AUYCTPCRRDJUDB-OWCLPIDISA-N 2 0 254.462 3.713 20 30 CHEDRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)CCC#N ZINC000877767915 1125076169 /nfs/dbraw/zinc/07/61/69/1125076169.db2.gz YVKFQVLCUTZFOR-UHFFFAOYSA-N 2 0 293.499 3.616 20 30 CHEDRP C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390909140 1125115872 /nfs/dbraw/zinc/11/58/72/1125115872.db2.gz UZPAYBCAYRTTQR-SFHVURJKSA-N 2 0 286.463 3.843 20 30 CHEDRP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C2CCC2)c1)C1CCC1 ZINC000878135121 1125122228 /nfs/dbraw/zinc/12/22/28/1125122228.db2.gz JHVWBYBLXGIENW-UHFFFAOYSA-N 2 0 297.446 3.527 20 30 CHEDRP CCCCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128118659 1125240187 /nfs/dbraw/zinc/24/01/87/1125240187.db2.gz GFDGWSHEZHJANM-DLBZAZTESA-N 2 0 266.473 3.953 20 30 CHEDRP CCCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740882197 1129422744 /nfs/dbraw/zinc/42/27/44/1129422744.db2.gz HIBAHMWRVYMRSW-HZPDHXFCSA-N 2 0 254.462 3.761 20 30 CHEDRP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000643549225 1129445499 /nfs/dbraw/zinc/44/54/99/1129445499.db2.gz VDTNFPNUCCIYFX-HCXYKTFWSA-N 2 0 284.447 3.672 20 30 CHEDRP C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169124699 1129701409 /nfs/dbraw/zinc/70/14/09/1129701409.db2.gz SGKYGYHMQVQZQX-ZJPYXAASSA-N 2 0 270.420 3.519 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000651749820 1129746885 /nfs/dbraw/zinc/74/68/85/1129746885.db2.gz KOKYXTGIZWJVKR-YJBOKZPZSA-N 2 0 272.436 3.583 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246222693 1131411522 /nfs/dbraw/zinc/41/15/22/1131411522.db2.gz NWQQUSKHOMMSKH-LUKYLMHMSA-N 2 0 266.473 3.856 20 30 CHEDRP CC[C@@H](CC#N)[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001255178386 1130561068 /nfs/dbraw/zinc/56/10/68/1130561068.db2.gz FSJDRJLHFNBVFS-SFHVURJKSA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000793521292 1130562150 /nfs/dbraw/zinc/56/21/50/1130562150.db2.gz JXRQXXDCZGWVMU-GVDBMIGSSA-N 2 0 264.457 3.728 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027242 1130703307 /nfs/dbraw/zinc/70/33/07/1130703307.db2.gz YWTMZWFCFGDQTJ-DLBZAZTESA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041514 1130705632 /nfs/dbraw/zinc/70/56/32/1130705632.db2.gz QZSIQFALRQICCF-QGZVFWFLSA-N 2 0 266.473 3.955 20 30 CHEDRP CCCCCCCCCC[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235088094 1130709342 /nfs/dbraw/zinc/70/93/42/1130709342.db2.gz AOJCITLEZBPRIY-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235663789 1130762405 /nfs/dbraw/zinc/76/24/05/1130762405.db2.gz UPSPJBVNBZJPPH-UHFFFAOYSA-N 2 0 274.452 3.735 20 30 CHEDRP CC1(C[N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]CC1 ZINC001235664749 1130763848 /nfs/dbraw/zinc/76/38/48/1130763848.db2.gz VFASRYUHYSKTCE-UHFFFAOYSA-N 2 0 291.483 3.705 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001235750688 1130777132 /nfs/dbraw/zinc/77/71/32/1130777132.db2.gz RVBZDKUPPZSQIF-INIZCTEOSA-N 2 0 254.462 3.798 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CCC[NH2+]CCC1 ZINC001236240653 1130902292 /nfs/dbraw/zinc/90/22/92/1130902292.db2.gz RRDZBMKPPCNBKU-UHFFFAOYSA-N 2 0 266.473 3.979 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237060145 1131044168 /nfs/dbraw/zinc/04/41/68/1131044168.db2.gz XVRUUQBOZBAIKG-QGZVFWFLSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246560210 1131622693 /nfs/dbraw/zinc/62/26/93/1131622693.db2.gz BQFMPHLGKQSIDP-HRCADAONSA-N 2 0 254.462 3.795 20 30 CHEDRP C=CCC[C@@H](C)[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246613178 1131718706 /nfs/dbraw/zinc/71/87/06/1131718706.db2.gz XDROTMYIEFRWAU-SJORKVTESA-N 2 0 264.457 3.587 20 30 CHEDRP C=CC[N@@H+]([C@H]1CC[NH2+][C@@H](CCCC)C1)C(C)(C)C ZINC001246921282 1131818036 /nfs/dbraw/zinc/81/80/36/1131818036.db2.gz PDNDSCIZNSZLRC-GJZGRUSLSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988846 1132115488 /nfs/dbraw/zinc/11/54/88/1132115488.db2.gz WIEDZHORJPRRMU-KRWDZBQOSA-N 2 0 272.436 3.547 20 30 CHEDRP CC1(C)C[C@@H]([NH2+]CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC001171972914 1132117905 /nfs/dbraw/zinc/11/79/05/1132117905.db2.gz UHEOQKNJVKZLLP-SFHVURJKSA-N 2 0 299.462 3.713 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172345794 1132180844 /nfs/dbraw/zinc/18/08/44/1132180844.db2.gz COANLEKBDTTXJV-JKSUJKDBSA-N 2 0 254.462 3.667 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484650 1132231055 /nfs/dbraw/zinc/23/10/55/1132231055.db2.gz BENIVUFAUZPYRZ-WDSOQIARSA-N 2 0 299.462 3.841 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500378 1132249355 /nfs/dbraw/zinc/24/93/55/1132249355.db2.gz NAKJASUUJJRXGJ-PKOBYXMFSA-N 2 0 299.462 3.523 20 30 CHEDRP CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001172564527 1132269960 /nfs/dbraw/zinc/26/99/60/1132269960.db2.gz IEDHIYHXCZTFQF-IAGOWNOFSA-N 2 0 286.504 3.595 20 30 CHEDRP CCCCCCCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000842478274 1132433509 /nfs/dbraw/zinc/43/35/09/1132433509.db2.gz GMACBQVBRHAEQU-ZWKOTPCHSA-N 2 0 296.499 3.565 20 30 CHEDRP CCCC[NH+]1CCC(C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173334252 1132465188 /nfs/dbraw/zinc/46/51/88/1132465188.db2.gz OKINKDAHYHDPPT-UHFFFAOYSA-N 2 0 291.483 3.561 20 30 CHEDRP CC1(C)C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@](C)(C[NH3+])C1 ZINC001173588603 1132495862 /nfs/dbraw/zinc/49/58/62/1132495862.db2.gz GOTDKLPBHMZMQX-NRLXWARBSA-N 2 0 291.483 3.592 20 30 CHEDRP CCCCCCCCCCCN1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895563 1133627554 /nfs/dbraw/zinc/62/75/54/1133627554.db2.gz JDKDEVKJEAEIIT-HZPDHXFCSA-N 2 0 272.452 3.888 20 30 CHEDRP C[NH+]1CCC(C[N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001207398503 1133797442 /nfs/dbraw/zinc/79/74/42/1133797442.db2.gz VGJKFCUIZHWPTB-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001208177749 1133898672 /nfs/dbraw/zinc/89/86/72/1133898672.db2.gz YTLVQFLWIOHKFP-GOSISDBHSA-N 2 0 276.468 3.563 20 30 CHEDRP C=CCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209164328 1133982506 /nfs/dbraw/zinc/98/25/06/1133982506.db2.gz AWPRCYRMBUZWAF-VQTJNVASSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209201023 1133986854 /nfs/dbraw/zinc/98/68/54/1133986854.db2.gz TUDCUUFTDXWLTF-WOJBJXKFSA-N 2 0 298.474 3.715 20 30 CHEDRP C=CCCCC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209202656 1133987444 /nfs/dbraw/zinc/98/74/44/1133987444.db2.gz MJTJJPPEKZHHQK-QGZVFWFLSA-N 2 0 264.457 3.683 20 30 CHEDRP C=CCCCCCCCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001209446121 1134023568 /nfs/dbraw/zinc/02/35/68/1134023568.db2.gz RSJCOAHXJIQWNQ-QZTJIDSGSA-N 2 0 278.484 3.787 20 30 CHEDRP CCCCCCCC[NH+]1CCC2(CC([NH3+])C2)CC1 ZINC001222210951 1135208286 /nfs/dbraw/zinc/20/82/86/1135208286.db2.gz AKZSXEWSDXYEPX-UHFFFAOYSA-N 2 0 252.446 3.550 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000448022630 260576054 /nfs/dbraw/zinc/57/60/54/260576054.db2.gz OYMIVPVHVBLTKQ-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827827 262398165 /nfs/dbraw/zinc/39/81/65/262398165.db2.gz KCGGQIPQQILJJY-HZPDHXFCSA-N 2 0 279.472 3.511 20 30 CHEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411303204 262687862 /nfs/dbraw/zinc/68/78/62/262687862.db2.gz UYANXCPIFLYTEX-QGZVFWFLSA-N 2 0 291.483 3.514 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948609 263368057 /nfs/dbraw/zinc/36/80/57/263368057.db2.gz VDDVTIFANFZAED-QZTJIDSGSA-N 2 0 272.436 3.768 20 30 CHEDRP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414682810 328213896 /nfs/dbraw/zinc/21/38/96/328213896.db2.gz RZOLPNGUWHMNCU-QWHCGFSZSA-N 2 0 298.883 3.778 20 30 CHEDRP C=CCCCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558978337 327135940 /nfs/dbraw/zinc/13/59/40/327135940.db2.gz AMZQUZKGZLNWHZ-UHFFFAOYSA-N 2 0 266.473 3.785 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2sccc2C)CC1 ZINC000152988249 327301231 /nfs/dbraw/zinc/30/12/31/327301231.db2.gz XGEONAGXVMGHNT-CQSZACIVSA-N 2 0 278.465 3.748 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)C1CC1 ZINC000423296764 330188699 /nfs/dbraw/zinc/18/86/99/330188699.db2.gz ZTAHEBVEUBCDJX-DYVFJYSZSA-N 2 0 258.409 3.541 20 30 CHEDRP C=CCC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000536888276 330363278 /nfs/dbraw/zinc/36/32/78/330363278.db2.gz ZQKLHOMUZVQLFA-UHFFFAOYSA-N 2 0 266.473 3.643 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000119995236 330384419 /nfs/dbraw/zinc/38/44/19/330384419.db2.gz CSMUHZSNIZGUDV-GOSISDBHSA-N 2 0 272.436 3.583 20 30 CHEDRP C=CCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488393694 332003744 /nfs/dbraw/zinc/00/37/44/332003744.db2.gz DUGONQMPPZIATG-KRWDZBQOSA-N 2 0 264.457 3.541 20 30 CHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC(C)(C)CCC#N ZINC000174272619 335151592 /nfs/dbraw/zinc/15/15/92/335151592.db2.gz AOZFWHDLGWTIRM-INIZCTEOSA-N 2 0 279.472 3.561 20 30 CHEDRP C=C(C)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577735021 335394283 /nfs/dbraw/zinc/39/42/83/335394283.db2.gz RVBUKEWGFDAPFR-MRXNPFEDSA-N 2 0 292.492 3.776 20 30 CHEDRP CC[NH+](CC)CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000338234004 1126726904 /nfs/dbraw/zinc/72/69/04/1126726904.db2.gz KRVVDFWFAYNKTM-UHFFFAOYSA-N 2 0 287.451 3.501 20 30 CHEDRP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000358325509 1127415632 /nfs/dbraw/zinc/41/56/32/1127415632.db2.gz DYTNBFTXJBUUQA-FHWLQOOXSA-N 2 0 284.447 3.910 20 30 CHEDRP CC[N@H+](CCC[NH2+]C[C@H](C)CCC#N)C1CCCCC1 ZINC000602699236 1127605824 /nfs/dbraw/zinc/60/58/24/1127605824.db2.gz OCCDHZNUTUPOIX-MRXNPFEDSA-N 2 0 279.472 3.561 20 30 CHEDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)CCC#N ZINC000602655984 1127602704 /nfs/dbraw/zinc/60/27/04/1127602704.db2.gz JSNHABFZDADEEG-INIZCTEOSA-N 2 0 287.451 3.510 20 30 CHEDRP C=C(CC)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000540215876 1127969783 /nfs/dbraw/zinc/96/97/83/1127969783.db2.gz VZMGGXMMRSHNEW-UHFFFAOYSA-N 2 0 272.436 3.549 20 30 CHEDRP CC(C)[NH+]1CCC([N@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929470270 1128274520 /nfs/dbraw/zinc/27/45/20/1128274520.db2.gz KKXVWTKQCCOPHY-UHFFFAOYSA-N 2 0 291.483 3.655 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930001334 1128296988 /nfs/dbraw/zinc/29/69/88/1128296988.db2.gz UVSOAEOMNCKMSD-IAGOWNOFSA-N 2 0 291.483 3.513 20 30 CHEDRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(C)C ZINC000568569395 1128587916 /nfs/dbraw/zinc/58/79/16/1128587916.db2.gz QEDATJMGMJPKIU-QZTJIDSGSA-N 2 0 299.462 3.502 20 30 CHEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000556501979 1128597902 /nfs/dbraw/zinc/59/79/02/1128597902.db2.gz ONBVDQVKSDBTHS-ROUUACIJSA-N 2 0 292.426 3.691 20 30 CHEDRP C=CCCCCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768100 1117827861 /nfs/dbraw/zinc/82/78/61/1117827861.db2.gz HBELMZCQYPIRHN-JKSUJKDBSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770107 1117856378 /nfs/dbraw/zinc/85/63/78/1117856378.db2.gz QUTPQZLUFVMDQK-IRXDYDNUSA-N 2 0 266.473 3.962 20 30 CHEDRP C=CCCCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000806168580 1118031801 /nfs/dbraw/zinc/03/18/01/1118031801.db2.gz SFEOKZPAEZAERE-UHFFFAOYSA-N 2 0 266.473 3.975 20 30 CHEDRP C=CCCCCCCC[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209441840 1118060668 /nfs/dbraw/zinc/06/06/68/1118060668.db2.gz KWEBVIUCQNWKDK-QZTJIDSGSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001209441189 1118061205 /nfs/dbraw/zinc/06/12/05/1118061205.db2.gz UZMWAEOPDKDDJN-UHFFFAOYSA-N 2 0 278.484 3.931 20 30 CHEDRP C=CCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000471584536 1118467420 /nfs/dbraw/zinc/46/74/20/1118467420.db2.gz HKJIZGRHUDLTHJ-XUVXKRRUSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000657567539 1119187891 /nfs/dbraw/zinc/18/78/91/1119187891.db2.gz SSBONHVCLLKHIO-IRXDYDNUSA-N 2 0 276.468 3.729 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000245907034 1119387040 /nfs/dbraw/zinc/38/70/40/1119387040.db2.gz CMBLAMXNRPRLOW-FUHWJXTLSA-N 2 0 278.484 3.975 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000583941856 1119438378 /nfs/dbraw/zinc/43/83/78/1119438378.db2.gz OUTDFTMYXJLXPZ-HNNXBMFYSA-N 2 0 266.473 3.831 20 30 CHEDRP CCCCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129804630 1119635895 /nfs/dbraw/zinc/63/58/95/1119635895.db2.gz AJJTTZQJUXDOIB-HZPDHXFCSA-N 2 0 254.462 3.809 20 30 CHEDRP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926685596 1119807198 /nfs/dbraw/zinc/80/71/98/1119807198.db2.gz NVEZDDXVMVECFQ-YQQQUEKLSA-N 2 0 284.447 3.738 20 30 CHEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000765927382 1120210926 /nfs/dbraw/zinc/21/09/26/1120210926.db2.gz RNAIPIBNWSPLEK-QZTJIDSGSA-N 2 0 291.483 3.705 20 30 CHEDRP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658115314 1121166000 /nfs/dbraw/zinc/16/60/00/1121166000.db2.gz UNORCKRFVXTOBE-QRVBRYPASA-N 2 0 284.447 3.595 20 30 CHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273165 1121278005 /nfs/dbraw/zinc/27/80/05/1121278005.db2.gz CMSMTCSRYKVIOB-IRXDYDNUSA-N 2 0 293.499 3.664 20 30 CHEDRP C=C1CC[NH+](CCCCCC[NH+]2CCC(=C)CC2)CC1 ZINC000731033012 1121845500 /nfs/dbraw/zinc/84/55/00/1121845500.db2.gz UBDQSTMNQJTGNL-UHFFFAOYSA-N 2 0 276.468 3.851 20 30 CHEDRP C=CCC[C@H]([NH2+]CCCN1CCc2ccccc2C1)C1CC1 ZINC000439085624 1122751858 /nfs/dbraw/zinc/75/18/58/1122751858.db2.gz NKIIPQSCLLWFKK-FQEVSTJZSA-N 2 0 298.474 3.769 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000105926479 1123086400 /nfs/dbraw/zinc/08/64/00/1123086400.db2.gz OVSHKUYZSGZFSB-OAHLLOKOSA-N 2 0 254.462 3.667 20 30 CHEDRP C=C(CC)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000520590113 1123181310 /nfs/dbraw/zinc/18/13/10/1123181310.db2.gz SBVKQMFBVKPMEI-INIZCTEOSA-N 2 0 292.492 3.776 20 30 CHEDRP C=C(C)C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168011315 1123270939 /nfs/dbraw/zinc/27/09/39/1123270939.db2.gz NOHWOBJWQJTSPI-HZPDHXFCSA-N 2 0 272.436 3.594 20 30 CHEDRP C#CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035324 1123533032 /nfs/dbraw/zinc/53/30/32/1123533032.db2.gz SFRHDJDMXMTQQW-OPVJXMOQSA-N 2 0 298.474 3.821 20 30 CHEDRP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301188497 1123879476 /nfs/dbraw/zinc/87/94/76/1123879476.db2.gz UOWJCFNCMJNBHO-UHFFFAOYSA-N 2 0 295.430 3.996 20 30 CHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000866467421 1124068743 /nfs/dbraw/zinc/06/87/43/1124068743.db2.gz HNUBGFRSTQJZEX-INIZCTEOSA-N 2 0 299.462 3.719 20 30 CHEDRP CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000866516500 1124077078 /nfs/dbraw/zinc/07/70/78/1124077078.db2.gz ASVDQYXADKCAOB-JLAWEPINSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000635012924 1129170391 /nfs/dbraw/zinc/17/03/91/1129170391.db2.gz XCQDAIMYDIOGGX-SFHVURJKSA-N 2 0 296.414 3.722 20 30 CHEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001245983730 1131265194 /nfs/dbraw/zinc/26/51/94/1131265194.db2.gz OLBCXSZXPMZICS-KSZLIROESA-N 2 0 298.515 3.608 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449734678 1124853661 /nfs/dbraw/zinc/85/36/61/1124853661.db2.gz NXRZJTDRHCFOGT-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCC[C@@H](C)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640016916 1125367554 /nfs/dbraw/zinc/36/75/54/1125367554.db2.gz GEUBTXQQUPGMDJ-OAHLLOKOSA-N 2 0 252.446 3.537 20 30 CHEDRP CCCCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740882193 1129423283 /nfs/dbraw/zinc/42/32/83/1129423283.db2.gz HIBAHMWRVYMRSW-CVEARBPZSA-N 2 0 254.462 3.761 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000744423868 1129577280 /nfs/dbraw/zinc/57/72/80/1129577280.db2.gz PKTRBWKAVYSYQF-INIZCTEOSA-N 2 0 254.462 3.621 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001246187321 1131385390 /nfs/dbraw/zinc/38/53/90/1131385390.db2.gz GLKREBTYRUHDIC-OAGGEKHMSA-N 2 0 254.462 3.841 20 30 CHEDRP C=CCC[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001258723238 1129578630 /nfs/dbraw/zinc/57/86/30/1129578630.db2.gz YLJQGUPCOVETAN-ZDUSSCGKSA-N 2 0 252.446 3.582 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001246214922 1131403743 /nfs/dbraw/zinc/40/37/43/1131403743.db2.gz LBCBTDFIBBRNQD-XHSDSOJGSA-N 2 0 254.462 3.843 20 30 CHEDRP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246216797 1131405462 /nfs/dbraw/zinc/40/54/62/1131405462.db2.gz ITUQLOYMVXEBGJ-QZTJIDSGSA-N 2 0 298.515 3.610 20 30 CHEDRP C=C(C)CC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902389207 1130005663 /nfs/dbraw/zinc/00/56/63/1130005663.db2.gz VYXJPCGMGHFFEY-INIZCTEOSA-N 2 0 282.378 3.691 20 30 CHEDRP CC(C)(C[NH3+])C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000903791307 1130198799 /nfs/dbraw/zinc/19/87/99/1130198799.db2.gz RSZHBQAANMSAGN-UHFFFAOYSA-N 2 0 291.483 3.547 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000678774994 1130453059 /nfs/dbraw/zinc/45/30/59/1130453059.db2.gz WKYDRADQKMSPOO-HNNXBMFYSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000793526721 1130563270 /nfs/dbraw/zinc/56/32/70/1130563270.db2.gz NPPRPULOEHGXMC-INIZCTEOSA-N 2 0 266.473 3.833 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000793526294 1130563361 /nfs/dbraw/zinc/56/33/61/1130563361.db2.gz XROAAFFPGIHGLI-MRXNPFEDSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000793533588 1130565714 /nfs/dbraw/zinc/56/57/14/1130565714.db2.gz OBQILXCAIACPNP-INIZCTEOSA-N 2 0 266.473 3.974 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000793552932 1130569402 /nfs/dbraw/zinc/56/94/02/1130569402.db2.gz LYKXPKOCRSPFPO-MRXNPFEDSA-N 2 0 266.473 3.833 20 30 CHEDRP C=CCCCCCCCN1CCCC[C@]12CC[NH2+]C2 ZINC001235126580 1130713009 /nfs/dbraw/zinc/71/30/09/1130713009.db2.gz UPQOSVRQOKYYSU-QGZVFWFLSA-N 2 0 264.457 3.731 20 30 CHEDRP C=CCCCCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233692 1130725475 /nfs/dbraw/zinc/72/54/75/1130725475.db2.gz RYSYSTJDMKUTLG-GOSISDBHSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235257190 1130730050 /nfs/dbraw/zinc/73/00/50/1130730050.db2.gz WQCMPFOABUMASS-ULQDDVLXSA-N 2 0 266.473 3.939 20 30 CHEDRP CCCCCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235812675 1130782852 /nfs/dbraw/zinc/78/28/52/1130782852.db2.gz ZVAWNKYLFKDTHW-MUJYYYPQSA-N 2 0 252.446 3.691 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236414181 1130932450 /nfs/dbraw/zinc/93/24/50/1130932450.db2.gz KLKJNDUQTPRTIH-CVEARBPZSA-N 2 0 252.446 3.715 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236603699 1130982574 /nfs/dbraw/zinc/98/25/74/1130982574.db2.gz CPRLNLPXDNYHLQ-INIZCTEOSA-N 2 0 252.446 3.574 20 30 CHEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000815651721 1131018108 /nfs/dbraw/zinc/01/81/08/1131018108.db2.gz BFRWZUWXPFEFHQ-INIZCTEOSA-N 2 0 296.414 3.552 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380211 1131092703 /nfs/dbraw/zinc/09/27/03/1131092703.db2.gz FZKSWQRWTQVONU-ZWKOTPCHSA-N 2 0 278.484 3.977 20 30 CHEDRP C=CCCCCCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817930773 1131192270 /nfs/dbraw/zinc/19/22/70/1131192270.db2.gz GJSCMLIMZGGKJN-AWEZNQCLSA-N 2 0 275.440 3.636 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000817969571 1131194329 /nfs/dbraw/zinc/19/43/29/1131194329.db2.gz XKIVTZYNXLRENC-OAHLLOKOSA-N 2 0 272.436 3.904 20 30 CHEDRP CCCCCCC[NH2+][C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246234282 1131419706 /nfs/dbraw/zinc/41/97/06/1131419706.db2.gz VDTAOOBNXWCRFY-MUJYYYPQSA-N 2 0 254.462 3.856 20 30 CHEDRP CCCCCCCC[C@H](CCC)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246291504 1131447831 /nfs/dbraw/zinc/44/78/31/1131447831.db2.gz HCTAQBVWLLPGAA-ZWKOTPCHSA-N 2 0 298.515 3.610 20 30 CHEDRP CCCCCCCCC[C@@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246310926 1131460727 /nfs/dbraw/zinc/46/07/27/1131460727.db2.gz OSSVHPAWADMRCR-SQNIBIBYSA-N 2 0 298.515 3.608 20 30 CHEDRP CCCCN(CCC#N)Cc1ccccc1-n1ccnc1C ZINC001140025275 1131657267 /nfs/dbraw/zinc/65/72/67/1131657267.db2.gz NNTCAOJYJZSAHV-UHFFFAOYSA-N 2 0 296.418 3.697 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846223352 1131702050 /nfs/dbraw/zinc/70/20/50/1131702050.db2.gz PWOQLAAVNYMSPC-KSZLIROESA-N 2 0 296.499 3.565 20 30 CHEDRP C=CCC[C@H](C)[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246613176 1131718711 /nfs/dbraw/zinc/71/87/11/1131718711.db2.gz XDROTMYIEFRWAU-IRXDYDNUSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246692382 1131782589 /nfs/dbraw/zinc/78/25/89/1131782589.db2.gz NSDPTDGJNRWNFS-HRCADAONSA-N 2 0 284.463 3.744 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC([NH3+])(CCOC)CC1 ZINC001172350310 1132182685 /nfs/dbraw/zinc/18/26/85/1132182685.db2.gz MOYMSQLOLVAZKD-QGZVFWFLSA-N 2 0 298.515 3.955 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC(C)([NH3+])CC1 ZINC001172352056 1132183414 /nfs/dbraw/zinc/18/34/14/1132183414.db2.gz YFZRFJGURCADIG-OAHLLOKOSA-N 2 0 254.462 3.939 20 30 CHEDRP CCCC[N@H+](CCC#N)C1CCC([NH+](CC)CC)CC1 ZINC001173111943 1132394722 /nfs/dbraw/zinc/39/47/22/1132394722.db2.gz OATLLUJCBFGAIG-UHFFFAOYSA-N 2 0 279.472 3.655 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727874 1133479985 /nfs/dbraw/zinc/47/99/85/1133479985.db2.gz TUNJTYOVVZNAKO-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209207070 1133987209 /nfs/dbraw/zinc/98/72/09/1133987209.db2.gz KDLYULKGTOTRFY-DLBZAZTESA-N 2 0 264.457 3.682 20 30 CHEDRP C=CCCCC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209202655 1133988129 /nfs/dbraw/zinc/98/81/29/1133988129.db2.gz MJTJJPPEKZHHQK-KRWDZBQOSA-N 2 0 264.457 3.683 20 30 CHEDRP C#CCCC[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001209266374 1133998996 /nfs/dbraw/zinc/99/89/96/1133998996.db2.gz VWFXFWRIJNNPHI-UFYCRDLUSA-N 2 0 296.458 3.510 20 30 CHEDRP C=CCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209427186 1134016047 /nfs/dbraw/zinc/01/60/47/1134016047.db2.gz JBQJGRACEYIFBZ-PMACEKPBSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCCC[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001209427145 1134016727 /nfs/dbraw/zinc/01/67/27/1134016727.db2.gz GPIMJAGDIZDIMO-UHFFFAOYSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC001209438152 1134019571 /nfs/dbraw/zinc/01/95/71/1134019571.db2.gz AFXRHLAEQZMWMM-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP C=CCCCCCCCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001209446122 1134024527 /nfs/dbraw/zinc/02/45/27/1134024527.db2.gz RSJCOAHXJIQWNQ-ROUUACIJSA-N 2 0 278.484 3.787 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(CC([NH3+])C2)CC1 ZINC001222210979 1135207961 /nfs/dbraw/zinc/20/79/61/1135207961.db2.gz BURHRLKDRLNSER-UHFFFAOYSA-N 2 0 266.473 3.940 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265457 1135216481 /nfs/dbraw/zinc/21/64/81/1135216481.db2.gz TYJGFTZAMUAIGK-GOSISDBHSA-N 2 0 278.484 3.979 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC(C)(C)C#N)C[C@H]1C ZINC000336827825 262397933 /nfs/dbraw/zinc/39/79/33/262397933.db2.gz KCGGQIPQQILJJY-CVEARBPZSA-N 2 0 279.472 3.511 20 30 CHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185762081 327844799 /nfs/dbraw/zinc/84/47/99/327844799.db2.gz QSJRXHHXYAJMOK-VQIMIIECSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC)CC1 ZINC000414294817 328154210 /nfs/dbraw/zinc/15/42/10/328154210.db2.gz DXIJIEVFDAVBBO-LJQANCHMSA-N 2 0 286.463 3.638 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCC)CC1)c1ccco1 ZINC000561314157 327385089 /nfs/dbraw/zinc/38/50/89/327385089.db2.gz DQVMGCZGRVXXTF-QGZVFWFLSA-N 2 0 290.451 3.999 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CCN(CC(=C)C)CC1)c1ccco1 ZINC000276458181 330113499 /nfs/dbraw/zinc/11/34/99/330113499.db2.gz NKDMTMXJTZKQTP-QGZVFWFLSA-N 2 0 288.435 3.917 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccco1 ZINC000276507402 330114315 /nfs/dbraw/zinc/11/43/15/330114315.db2.gz YRLZSXHZCTUIPE-MRXNPFEDSA-N 2 0 295.386 3.767 20 30 CHEDRP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423000570 330163882 /nfs/dbraw/zinc/16/38/82/330163882.db2.gz VOJSTJWFWVSABW-WFFDWFOESA-N 2 0 270.420 3.567 20 30 CHEDRP N#CCCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423134054 330172054 /nfs/dbraw/zinc/17/20/54/330172054.db2.gz RLTDSTBNMYHDHS-VJFUWPCTSA-N 2 0 285.435 3.529 20 30 CHEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423513926 330209417 /nfs/dbraw/zinc/20/94/17/330209417.db2.gz VURVHYWFSVPHTB-YQQAZPJKSA-N 2 0 260.425 3.657 20 30 CHEDRP C=CC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449151723 330901966 /nfs/dbraw/zinc/90/19/66/330901966.db2.gz YHIOIYAOSIOKRX-SJORKVTESA-N 2 0 286.463 3.636 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459664236 331292997 /nfs/dbraw/zinc/29/29/97/331292997.db2.gz ZZRGFBCCGVJVBB-CQSZACIVSA-N 2 0 257.381 3.559 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000467405834 331417841 /nfs/dbraw/zinc/41/78/41/331417841.db2.gz HSMOWZDOIWGUEZ-RYRKJORJSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(CC)cc2)CC1 ZINC000177905481 333065645 /nfs/dbraw/zinc/06/56/45/333065645.db2.gz NXQJRKIDWJOMLS-OAHLLOKOSA-N 2 0 272.436 3.550 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000541091127 333762259 /nfs/dbraw/zinc/76/22/59/333762259.db2.gz ZTLYAUDYHSFVAC-UHFFFAOYSA-N 2 0 293.499 3.760 20 30 CHEDRP CCCC[N@H+](C)CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000134177822 334083171 /nfs/dbraw/zinc/08/31/71/334083171.db2.gz YPQXCJCEKOUGDV-UHFFFAOYSA-N 2 0 293.499 3.760 20 30 CHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245931415 334224607 /nfs/dbraw/zinc/22/46/07/334224607.db2.gz SLYBXCWGTJQQCV-SJLPKXTDSA-N 2 0 299.462 3.577 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000553104350 334361833 /nfs/dbraw/zinc/36/18/33/334361833.db2.gz VXIZBARVQFVZJB-HNNXBMFYSA-N 2 0 266.473 3.974 20 30 CHEDRP C=CCCCC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000577034030 335285745 /nfs/dbraw/zinc/28/57/45/335285745.db2.gz UYFONJRMOHDKAY-MRXNPFEDSA-N 2 0 287.451 3.755 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000449130230 1124653103 /nfs/dbraw/zinc/65/31/03/1124653103.db2.gz GBMHKXKPDSUAAJ-DLBZAZTESA-N 2 0 266.473 3.831 20 30 CHEDRP C=CCC[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918545 1126758798 /nfs/dbraw/zinc/75/87/98/1126758798.db2.gz DYTNBFTXJBUUQA-GUDVDZBRSA-N 2 0 284.447 3.910 20 30 CHEDRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000293666318 1127512171 /nfs/dbraw/zinc/51/21/71/1127512171.db2.gz JCEVIJFXPYSMQS-LJQANCHMSA-N 2 0 299.462 3.865 20 30 CHEDRP C[C@H](CCC#N)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602439849 1127580269 /nfs/dbraw/zinc/58/02/69/1127580269.db2.gz LQHAXVFNUMDIKI-QGZVFWFLSA-N 2 0 291.483 3.514 20 30 CHEDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)CCC#N ZINC000602655985 1127602803 /nfs/dbraw/zinc/60/28/03/1127602803.db2.gz JSNHABFZDADEEG-MRXNPFEDSA-N 2 0 287.451 3.510 20 30 CHEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCCC(C)(C)C#N ZINC000603109738 1127631125 /nfs/dbraw/zinc/63/11/25/1127631125.db2.gz GTHSGEWKPMOEGX-UHFFFAOYSA-N 2 0 279.472 3.514 20 30 CHEDRP CCC#C[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001168414461 1127648948 /nfs/dbraw/zinc/64/89/48/1127648948.db2.gz QOVKNQCZWNTSPU-GOSISDBHSA-N 2 0 292.511 3.868 20 30 CHEDRP CC[NH+](CC)CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000409446901 1127767789 /nfs/dbraw/zinc/76/77/89/1127767789.db2.gz QCDSDUUZXOXDSE-UHFFFAOYSA-N 2 0 293.499 3.760 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924605491 1128107275 /nfs/dbraw/zinc/10/72/75/1128107275.db2.gz GRMDGCTUZDBLLK-MRXNPFEDSA-N 2 0 299.462 3.700 20 30 CHEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926890361 1128200429 /nfs/dbraw/zinc/20/04/29/1128200429.db2.gz UKMZBXTWEAOJOP-KLHKWILBSA-N 2 0 291.483 3.701 20 30 CHEDRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(C#N)c1 ZINC000927039950 1128210848 /nfs/dbraw/zinc/21/08/48/1128210848.db2.gz YIQKCFVPCJVMGH-VNCLNFNDSA-N 2 0 297.446 3.616 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000130531284 1128585794 /nfs/dbraw/zinc/58/57/94/1128585794.db2.gz WAKXMCGROFUNDI-MRXNPFEDSA-N 2 0 274.452 3.973 20 30 CHEDRP CCCCCCCCC[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236223085 1128626917 /nfs/dbraw/zinc/62/69/17/1128626917.db2.gz LCVGVJQZQMIHGZ-UHFFFAOYSA-N 2 0 254.462 3.811 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1cccc2cncn21 ZINC001238114762 1117784138 /nfs/dbraw/zinc/78/41/38/1117784138.db2.gz VWVFEAWYJBDLQB-UHFFFAOYSA-N 2 0 259.397 3.737 20 30 CHEDRP C=CCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000448028884 1118922284 /nfs/dbraw/zinc/92/22/84/1118922284.db2.gz PGNOJQXTAUKCKU-XUVXKRRUSA-N 2 0 298.474 3.843 20 30 CHEDRP CCCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103985106 1118965844 /nfs/dbraw/zinc/96/58/44/1118965844.db2.gz PHIHUZZZRPKBAQ-XYPWUTKMSA-N 2 0 252.446 3.562 20 30 CHEDRP C=CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000658114730 1119683983 /nfs/dbraw/zinc/68/39/83/1119683983.db2.gz QKAGJJOHIDVMBO-UHFFFAOYSA-N 2 0 266.473 3.831 20 30 CHEDRP CCC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000472763531 1120165853 /nfs/dbraw/zinc/16/58/53/1120165853.db2.gz ATIXTTOYCYCGHC-IBGZPJMESA-N 2 0 299.462 3.645 20 30 CHEDRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000118443389 1120530014 /nfs/dbraw/zinc/53/00/14/1120530014.db2.gz SIYVRLCWNBLQMV-WMLDXEAASA-N 2 0 287.451 3.575 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651748769 1120735228 /nfs/dbraw/zinc/73/52/28/1120735228.db2.gz XNQMKVHNEPFQLT-FUHWJXTLSA-N 2 0 299.462 3.632 20 30 CHEDRP C=C(C)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509372366 1121558228 /nfs/dbraw/zinc/55/82/28/1121558228.db2.gz MFEIMESBBCUGFB-QGZVFWFLSA-N 2 0 278.484 3.929 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001206292490 1121709037 /nfs/dbraw/zinc/70/90/37/1121709037.db2.gz BZVAKVATEUYGNM-MSOLQXFVSA-N 2 0 276.468 3.740 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255805 1122207399 /nfs/dbraw/zinc/20/73/99/1122207399.db2.gz LAPFYYQLBYDOMJ-INIZCTEOSA-N 2 0 252.446 3.716 20 30 CHEDRP C=CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716640506 1122523868 /nfs/dbraw/zinc/52/38/68/1122523868.db2.gz WSYZVXURICNHCI-ZCNNSNEGSA-N 2 0 298.474 3.985 20 30 CHEDRP C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775393968 1122542070 /nfs/dbraw/zinc/54/20/70/1122542070.db2.gz CKKOALRRLFCMOC-HUUCEWRRSA-N 2 0 290.451 3.762 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000453302755 1123570445 /nfs/dbraw/zinc/57/04/45/1123570445.db2.gz AVGVFZMRAXAJIB-DLBZAZTESA-N 2 0 272.436 3.624 20 30 CHEDRP CCCCCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000863540005 1123875251 /nfs/dbraw/zinc/87/52/51/1123875251.db2.gz PKWDGJUPKVCDDW-DOTOQJQBSA-N 2 0 262.441 3.505 20 30 CHEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001245983743 1131265442 /nfs/dbraw/zinc/26/54/42/1131265442.db2.gz OLBCXSZXPMZICS-KURKYZTESA-N 2 0 298.515 3.608 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449484144 1124765591 /nfs/dbraw/zinc/76/55/91/1124765591.db2.gz FOELHYUQGKKZAK-DOTOQJQBSA-N 2 0 278.484 3.831 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246098568 1131313513 /nfs/dbraw/zinc/31/35/13/1131313513.db2.gz JVPKDGBTQHQURT-OWCLPIDISA-N 2 0 254.462 3.571 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449735473 1124855033 /nfs/dbraw/zinc/85/50/33/1124855033.db2.gz QXTZIGKHCMWKCK-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@@H]1[NH3+] ZINC001246102448 1131321086 /nfs/dbraw/zinc/32/10/86/1131321086.db2.gz OOTLUZCXHHXHEM-OWCLPIDISA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246102694 1131321413 /nfs/dbraw/zinc/32/14/13/1131321413.db2.gz SMTSFTGEOAFAMW-ZACQAIPSSA-N 2 0 268.489 3.961 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000876993912 1124994542 /nfs/dbraw/zinc/99/45/42/1124994542.db2.gz VYAJYEQLAWTSED-MRXNPFEDSA-N 2 0 291.483 3.561 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C[C@@H]1C ZINC001246109313 1131328800 /nfs/dbraw/zinc/32/88/00/1131328800.db2.gz AUYCTPCRRDJUDB-JYJNAYRXSA-N 2 0 254.462 3.713 20 30 CHEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475729367 1125282308 /nfs/dbraw/zinc/28/23/08/1125282308.db2.gz WYSUZINYYOXUNV-LJQANCHMSA-N 2 0 284.447 3.551 20 30 CHEDRP CCCCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740882196 1129422791 /nfs/dbraw/zinc/42/27/91/1129422791.db2.gz HIBAHMWRVYMRSW-HOTGVXAUSA-N 2 0 254.462 3.761 20 30 CHEDRP CCCCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140672 1129704203 /nfs/dbraw/zinc/70/42/03/1129704203.db2.gz LGOKOQDNYPLIFY-ZSHCYNCHSA-N 2 0 252.446 3.514 20 30 CHEDRP CCCCCCCCCCC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001246216798 1131405045 /nfs/dbraw/zinc/40/50/45/1131405045.db2.gz ITUQLOYMVXEBGJ-ROUUACIJSA-N 2 0 298.515 3.610 20 30 CHEDRP C=CCCC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902381823 1130004843 /nfs/dbraw/zinc/00/48/43/1130004843.db2.gz GPROLSLOLDVFJU-MRXNPFEDSA-N 2 0 282.378 3.691 20 30 CHEDRP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1 ZINC000902728609 1130046126 /nfs/dbraw/zinc/04/61/26/1130046126.db2.gz XTMVDRLLJAGSPI-QGZVFWFLSA-N 2 0 299.462 3.908 20 30 CHEDRP CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000903082558 1130109699 /nfs/dbraw/zinc/10/96/99/1130109699.db2.gz UOCZIFQOOAXIPY-XBMUEBEBSA-N 2 0 299.462 3.862 20 30 CHEDRP C=CCC[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903253602 1130137730 /nfs/dbraw/zinc/13/77/30/1130137730.db2.gz NAILXKDGMPEKMF-GTPINHCMSA-N 2 0 264.457 3.728 20 30 CHEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCCCCCCCCC[NH3+])C1 ZINC001254649280 1130273273 /nfs/dbraw/zinc/27/32/73/1130273273.db2.gz OCXZITVPFQEWDH-SJORKVTESA-N 2 0 279.472 3.738 20 30 CHEDRP C=CCCCCCCCC[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235089782 1130709069 /nfs/dbraw/zinc/70/90/69/1130709069.db2.gz SJQFHYFUDHTZBZ-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235135043 1130713651 /nfs/dbraw/zinc/71/36/51/1130713651.db2.gz HYUSVNFVSGTNIM-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCC/C=C/CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235256989 1130729126 /nfs/dbraw/zinc/72/91/26/1130729126.db2.gz VSSSYWBCNJUHQX-LJFOUZCWSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365725 1130737652 /nfs/dbraw/zinc/73/76/52/1130737652.db2.gz PCTLJKYBYUYGKT-WOJBJXKFSA-N 2 0 298.474 3.596 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235673543 1130764817 /nfs/dbraw/zinc/76/48/17/1130764817.db2.gz NLPMZRHBDUUDAA-QGZVFWFLSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711649 1130771762 /nfs/dbraw/zinc/77/17/62/1130771762.db2.gz SOOWFGLPNJRLRU-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CCCCCCCCCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235843180 1130786739 /nfs/dbraw/zinc/78/67/39/1130786739.db2.gz XEJWFVORXQQZRN-KRWDZBQOSA-N 2 0 266.473 3.835 20 30 CHEDRP CCCCCCCCCCC[NH+]1CC(CC[NH3+])C1 ZINC001235918910 1130804909 /nfs/dbraw/zinc/80/49/09/1130804909.db2.gz PFWWINIBBLGYSE-UHFFFAOYSA-N 2 0 254.462 3.798 20 30 CHEDRP C=CC[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CCCCC1 ZINC001236434824 1130940772 /nfs/dbraw/zinc/94/07/72/1130940772.db2.gz XLTXFEIDCMOTFI-UHFFFAOYSA-N 2 0 284.447 3.653 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001236584522 1130980990 /nfs/dbraw/zinc/98/09/90/1130980990.db2.gz HIUBJGFLZVQUFN-QZTJIDSGSA-N 2 0 288.479 3.753 20 30 CHEDRP CCC(CC)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782947 1131006168 /nfs/dbraw/zinc/00/61/68/1131006168.db2.gz NIRNPAIFMVWSKX-UAPYVXQJSA-N 2 0 299.462 3.819 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236822524 1131015111 /nfs/dbraw/zinc/01/51/11/1131015111.db2.gz ZTHZCTPZHTWXFC-OKZBNKHCSA-N 2 0 278.484 3.962 20 30 CHEDRP CCCCCCCC[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236830336 1131016082 /nfs/dbraw/zinc/01/60/82/1131016082.db2.gz NFYGUECFDXONNP-INIZCTEOSA-N 2 0 254.462 3.668 20 30 CHEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246227597 1131414767 /nfs/dbraw/zinc/41/47/67/1131414767.db2.gz DNZRKEKLTRYTFS-HZPDHXFCSA-N 2 0 254.462 3.857 20 30 CHEDRP CCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246227596 1131416355 /nfs/dbraw/zinc/41/63/55/1131416355.db2.gz DNZRKEKLTRYTFS-HOTGVXAUSA-N 2 0 254.462 3.857 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC001246231616 1131418752 /nfs/dbraw/zinc/41/87/52/1131418752.db2.gz NMHLSQLKBQPTHH-JKSUJKDBSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCCCC[C@H](CCC)[NH2+][C@H](N)CCC[NH3+] ZINC001246300929 1131452682 /nfs/dbraw/zinc/45/26/82/1131452682.db2.gz QKYZGMKOEOIYCY-IRXDYDNUSA-N 2 0 285.520 3.909 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824988596 1131493690 /nfs/dbraw/zinc/49/36/90/1131493690.db2.gz OQDXDRFJIAIOBF-MGNMYUMUSA-N 2 0 264.457 3.726 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H](C1CC1)C1C[NH2+]C1 ZINC001246512063 1131537905 /nfs/dbraw/zinc/53/79/05/1131537905.db2.gz AKOVGCSDHWJKHS-SJORKVTESA-N 2 0 266.473 3.713 20 30 CHEDRP CCCCCCC[C@H](CC)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246644625 1131764948 /nfs/dbraw/zinc/76/49/48/1131764948.db2.gz IJIYQKRWDGLRGL-PCKAHOCUSA-N 2 0 252.446 3.549 20 30 CHEDRP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970170 1132118388 /nfs/dbraw/zinc/11/83/88/1132118388.db2.gz ZFJJYOUJICXOOX-KRWDZBQOSA-N 2 0 272.436 3.595 20 30 CHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331440 1132463498 /nfs/dbraw/zinc/46/34/98/1132463498.db2.gz DNIIJBPCCHFUGS-VNGAXPGBSA-N 2 0 291.483 3.701 20 30 CHEDRP CC1(C)C[C@H]([NH2+]C2CCC(CC#N)CC2)C[C@](C)(C[NH3+])C1 ZINC001173329832 1132464107 /nfs/dbraw/zinc/46/41/07/1132464107.db2.gz OBIKDSXFCRODQS-OBQMCRIKSA-N 2 0 291.483 3.592 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205000308 1133514923 /nfs/dbraw/zinc/51/49/23/1133514923.db2.gz DBEQJHOOYSVKNC-OAGJVSPASA-N 2 0 266.473 3.835 20 30 CHEDRP CCC[N@H+](CCC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291848 1133788153 /nfs/dbraw/zinc/78/81/53/1133788153.db2.gz ZLZMXXSAYFXMHE-UHFFFAOYSA-N 2 0 299.462 3.524 20 30 CHEDRP CCCCCCC[N@H+](CC)CC1CC[NH+](C)CC1 ZINC001207398333 1133797052 /nfs/dbraw/zinc/79/70/52/1133797052.db2.gz ILAYHCSFSDMIGZ-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP CCCCCCC/C=C/CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001208124423 1133880365 /nfs/dbraw/zinc/88/03/65/1133880365.db2.gz QRBYCTUQTMPEKA-QZEKMECESA-N 2 0 278.484 3.931 20 30 CHEDRP C=CCCC[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001209161035 1133982978 /nfs/dbraw/zinc/98/29/78/1133982978.db2.gz FFYQCXZGRHSOHM-UHFFFAOYSA-N 2 0 288.435 3.534 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)C1CCN(C)CC1 ZINC001209438093 1134020296 /nfs/dbraw/zinc/02/02/96/1134020296.db2.gz FLJQRPWQBPLONX-UHFFFAOYSA-N 2 0 252.446 3.539 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222140955 1135198763 /nfs/dbraw/zinc/19/87/63/1135198763.db2.gz AONRBMOTYMIHTJ-QGZVFWFLSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccco1 ZINC000574506274 335024714 /nfs/dbraw/zinc/02/47/14/335024714.db2.gz DVSSUDOKTZSTNO-QGZVFWFLSA-N 2 0 290.451 3.999 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000449174979 327104528 /nfs/dbraw/zinc/10/45/28/327104528.db2.gz ZKKKUUWJKYKCEY-ZBFHGGJFSA-N 2 0 275.440 3.793 20 30 CHEDRP C=CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000265770446 330063199 /nfs/dbraw/zinc/06/31/99/330063199.db2.gz IRVRBLKESTVQKU-FUHWJXTLSA-N 2 0 272.436 3.547 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccco1 ZINC000421892452 330104418 /nfs/dbraw/zinc/10/44/18/330104418.db2.gz ZHGUWQWXECHRED-UYSNPLJNSA-N 2 0 276.424 3.749 20 30 CHEDRP C=CCN1CCC([NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000177911056 333065437 /nfs/dbraw/zinc/06/54/37/333065437.db2.gz HOTUBWNFQOUBSA-SFHVURJKSA-N 2 0 284.447 3.649 20 30 CHEDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000245896684 334223180 /nfs/dbraw/zinc/22/31/80/334223180.db2.gz NEWIUGVUFIALQE-DLBZAZTESA-N 2 0 299.462 3.863 20 30 CHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000551395632 334248937 /nfs/dbraw/zinc/24/89/37/334248937.db2.gz ONBVDQVKSDBTHS-QZTJIDSGSA-N 2 0 292.426 3.691 20 30 CHEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249114816 334328188 /nfs/dbraw/zinc/32/81/88/334328188.db2.gz RXFSAGIOLFGOGX-YQVWRLOYSA-N 2 0 286.463 3.699 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205904754 1123069678 /nfs/dbraw/zinc/06/96/78/1123069678.db2.gz XELFPXIVIQARCN-JKSUJKDBSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545599 1133586634 /nfs/dbraw/zinc/58/66/34/1133586634.db2.gz JYZKHEMCZZBUEW-INIZCTEOSA-N 2 0 270.436 3.666 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886604904 1125696483 /nfs/dbraw/zinc/69/64/83/1125696483.db2.gz FWICRHZKQXXHNM-GTPINHCMSA-N 2 0 264.457 3.728 20 30 CHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174351628 1126769156 /nfs/dbraw/zinc/76/91/56/1126769156.db2.gz YPJJOLWBPBNLCV-UHFFFAOYSA-N 2 0 287.451 3.558 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041727 1130704001 /nfs/dbraw/zinc/70/40/01/1130704001.db2.gz SAAWRGVZAVRZFG-QGZVFWFLSA-N 2 0 264.457 3.731 20 30 CHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185885528 1126905195 /nfs/dbraw/zinc/90/51/95/1126905195.db2.gz DEEFBHLKGGPTAU-LPHOPBHVSA-N 2 0 299.462 3.699 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235674315 1130765378 /nfs/dbraw/zinc/76/53/78/1130765378.db2.gz RPIQXVDVKMFJRQ-ROJDOSBLSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCN1CCC([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191273162 1126949442 /nfs/dbraw/zinc/94/94/42/1126949442.db2.gz GMTCZDLHQISJQS-LLVKDONJSA-N 2 0 284.856 3.703 20 30 CHEDRP C=CCCCCCCCCC[NH+]1CC2(CC([NH3+])C2)C1 ZINC001235819161 1130781867 /nfs/dbraw/zinc/78/18/67/1130781867.db2.gz BBWWNFRJKUUWKN-UHFFFAOYSA-N 2 0 264.457 3.716 20 30 CHEDRP C=C[C@@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@H]1C=C ZINC000489437284 1127104024 /nfs/dbraw/zinc/10/40/24/1127104024.db2.gz NUOKIHNIAUYHJE-ZWHYWQQASA-N 2 0 274.452 3.624 20 30 CHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000591576914 1127309278 /nfs/dbraw/zinc/30/92/78/1127309278.db2.gz NFWSVRPACWPOFO-GOSISDBHSA-N 2 0 297.446 3.577 20 30 CHEDRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838712 1127514329 /nfs/dbraw/zinc/51/43/29/1127514329.db2.gz DLWTUSFGWSILSW-GOSISDBHSA-N 2 0 299.462 3.503 20 30 CHEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCCCC(C)(C)C#N ZINC000603117299 1127631993 /nfs/dbraw/zinc/63/19/93/1127631993.db2.gz FKEDUDRVYROPPX-UHFFFAOYSA-N 2 0 293.499 3.904 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924583327 1128106669 /nfs/dbraw/zinc/10/66/69/1128106669.db2.gz SHKSRJJJDXYGDA-INIZCTEOSA-N 2 0 299.462 3.700 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001258039862 1128676320 /nfs/dbraw/zinc/67/63/20/1128676320.db2.gz ZYIFLTRSHCGELB-MRXNPFEDSA-N 2 0 266.473 3.811 20 30 CHEDRP C=CCCCCCCC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768099 1117828134 /nfs/dbraw/zinc/82/81/34/1117828134.db2.gz HBELMZCQYPIRHN-HZPDHXFCSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623541448 1117870616 /nfs/dbraw/zinc/87/06/16/1117870616.db2.gz KMONOBMKBOYRLC-HNNXBMFYSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000338549021 1118216070 /nfs/dbraw/zinc/21/60/70/1118216070.db2.gz LIYPXSBNLKXPPX-LJQANCHMSA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000471584534 1118467440 /nfs/dbraw/zinc/46/74/40/1118467440.db2.gz HKJIZGRHUDLTHJ-VAMGGRTRSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000471598752 1118483158 /nfs/dbraw/zinc/48/31/58/1118483158.db2.gz YFVUKEDVKWOUHE-SJLPKXTDSA-N 2 0 278.484 3.975 20 30 CHEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554820 1119032252 /nfs/dbraw/zinc/03/22/52/1119032252.db2.gz UWQBKLUJVRRLJU-HXUWFJFHSA-N 2 0 298.474 3.941 20 30 CHEDRP C=C(CC)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449734680 1119387783 /nfs/dbraw/zinc/38/77/83/1119387783.db2.gz NXRZJTDRHCFOGT-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCC#N)CC1 ZINC000158946652 1119477023 /nfs/dbraw/zinc/47/70/23/1119477023.db2.gz RTQDPCYFWHYLRM-QGZVFWFLSA-N 2 0 291.483 3.657 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000569641416 1119492696 /nfs/dbraw/zinc/49/26/96/1119492696.db2.gz LOTMLEOWWXMLCZ-HNNXBMFYSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657842322 1119505289 /nfs/dbraw/zinc/50/52/89/1119505289.db2.gz AYUICWVBBHKZJZ-WMZOPIPTSA-N 2 0 276.468 3.585 20 30 CHEDRP C=C(CC)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000542947525 1120274937 /nfs/dbraw/zinc/27/49/37/1120274937.db2.gz FITBKAMQEZHJTJ-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP C=CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000117883841 1120519162 /nfs/dbraw/zinc/51/91/62/1120519162.db2.gz KRGQKUJXKGYDAP-IAGOWNOFSA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543462080 1120528409 /nfs/dbraw/zinc/52/84/09/1120528409.db2.gz WJHPDZCPBQNOAT-ULQDDVLXSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922846511 1120611783 /nfs/dbraw/zinc/61/17/83/1120611783.db2.gz LTUFIKLUVDSRGB-ZLZJIPBDSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467660 1120983825 /nfs/dbraw/zinc/98/38/25/1120983825.db2.gz HBXUVJNEHCCXMN-QZTJIDSGSA-N 2 0 278.484 3.833 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001167825703 1121000104 /nfs/dbraw/zinc/00/01/04/1121000104.db2.gz KXQHDHUWKDIESZ-INIZCTEOSA-N 2 0 287.451 3.501 20 30 CHEDRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001167841362 1121055579 /nfs/dbraw/zinc/05/55/79/1121055579.db2.gz LGUNSGROAYDDML-MRXNPFEDSA-N 2 0 287.451 3.501 20 30 CHEDRP C=CCCCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001175121283 1121190319 /nfs/dbraw/zinc/19/03/19/1121190319.db2.gz ROXYIHADFISCQL-UHFFFAOYSA-N 2 0 264.457 3.683 20 30 CHEDRP C=C(CC)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238002 1121216753 /nfs/dbraw/zinc/21/67/53/1121216753.db2.gz XOGZIWHEURRSBS-LJQANCHMSA-N 2 0 284.447 3.551 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727956 1121755218 /nfs/dbraw/zinc/75/52/18/1121755218.db2.gz YEHAOQCPDGWZTI-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(CC)cc2)CC1 ZINC000152949677 1129013664 /nfs/dbraw/zinc/01/36/64/1129013664.db2.gz FBTPQKRHTAKGPW-INIZCTEOSA-N 2 0 286.463 3.940 20 30 CHEDRP C=CCN1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284131977 1121924716 /nfs/dbraw/zinc/92/47/16/1121924716.db2.gz CYBHSZRZWPPYMM-FQEVSTJZSA-N 2 0 298.474 3.556 20 30 CHEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436289184 1122533090 /nfs/dbraw/zinc/53/30/90/1122533090.db2.gz MEACUJSBFKVAND-DOTOQJQBSA-N 2 0 264.457 3.728 20 30 CHEDRP CCC#C[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001192499838 1122648896 /nfs/dbraw/zinc/64/88/96/1122648896.db2.gz FUTXLEUITHMKLI-QGZVFWFLSA-N 2 0 290.495 3.622 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001201567262 1123125771 /nfs/dbraw/zinc/12/57/71/1123125771.db2.gz WGLOOZZIQASILD-FGTMMUONSA-N 2 0 278.484 3.689 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000865765390 1124012406 /nfs/dbraw/zinc/01/24/06/1124012406.db2.gz SRJPDDZVDPBTKK-KZYLPZIUSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000635012923 1129170533 /nfs/dbraw/zinc/17/05/33/1129170533.db2.gz XCQDAIMYDIOGGX-GOSISDBHSA-N 2 0 296.414 3.722 20 30 CHEDRP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447511214 1124483683 /nfs/dbraw/zinc/48/36/83/1124483683.db2.gz SKPFORGXKYGIAD-LPHOPBHVSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449099471 1124646829 /nfs/dbraw/zinc/64/68/29/1124646829.db2.gz TXNAJJWWIBLYSF-OAHLLOKOSA-N 2 0 264.457 3.728 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449480774 1124756483 /nfs/dbraw/zinc/75/64/83/1124756483.db2.gz ZPDWINOLCCIGOB-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449484147 1124764513 /nfs/dbraw/zinc/76/45/13/1124764513.db2.gz FOELHYUQGKKZAK-WBVHZDCISA-N 2 0 278.484 3.831 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449486745 1124764572 /nfs/dbraw/zinc/76/45/72/1124764572.db2.gz VCHUNTSAMBVGRD-SJLPKXTDSA-N 2 0 286.463 3.699 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246097061 1131310628 /nfs/dbraw/zinc/31/06/28/1131310628.db2.gz NFHRAJZHQKKTLJ-JKSUJKDBSA-N 2 0 254.462 3.857 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[NH2+][C@@H]1C ZINC001246093256 1131305554 /nfs/dbraw/zinc/30/55/54/1131305554.db2.gz MVKQXAYADGKXAZ-PMPSAXMXSA-N 2 0 254.462 3.713 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246102701 1131321419 /nfs/dbraw/zinc/32/14/19/1131321419.db2.gz WTIXZXBETBFQGA-ARFHVFGLSA-N 2 0 254.462 3.713 20 30 CHEDRP C=CC(C)(C)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000877804230 1125080164 /nfs/dbraw/zinc/08/01/64/1125080164.db2.gz QNKQGEOKJVSHCZ-UHFFFAOYSA-N 2 0 287.451 3.632 20 30 CHEDRP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000248897480 1125373816 /nfs/dbraw/zinc/37/38/16/1125373816.db2.gz UATVPZJNTFBYPL-NJAFHUGGSA-N 2 0 291.483 3.559 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883173817 1125375102 /nfs/dbraw/zinc/37/51/02/1125375102.db2.gz UROYPNIFGZPLJG-HSALFYBXSA-N 2 0 298.474 3.780 20 30 CHEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001258719873 1129547484 /nfs/dbraw/zinc/54/74/84/1129547484.db2.gz LSQHYVJKKABIPG-INIZCTEOSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343808 1129571833 /nfs/dbraw/zinc/57/18/33/1129571833.db2.gz CNELVDGTJULOPW-ISARSNTHSA-N 2 0 286.463 3.522 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246199383 1131395960 /nfs/dbraw/zinc/39/59/60/1131395960.db2.gz WDKNRQFLPJUCDT-HOTGVXAUSA-N 2 0 254.462 3.715 20 30 CHEDRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902820079 1130062552 /nfs/dbraw/zinc/06/25/52/1130062552.db2.gz NYRZVWJIXYQGGX-IBGZPJMESA-N 2 0 299.462 3.721 20 30 CHEDRP N#CC1(CCCC[N@@H+](CCC[NH3+])Cc2ccccc2)CCC1 ZINC000903746632 1130195588 /nfs/dbraw/zinc/19/55/88/1130195588.db2.gz IXNWHEHLGSNWKM-UHFFFAOYSA-N 2 0 299.462 3.702 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000793521291 1130561724 /nfs/dbraw/zinc/56/17/24/1130561724.db2.gz JXRQXXDCZGWVMU-BBWFWOEESA-N 2 0 264.457 3.728 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235103740 1130711876 /nfs/dbraw/zinc/71/18/76/1130711876.db2.gz KGQIOMRFQSVHAK-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233335 1130725935 /nfs/dbraw/zinc/72/59/35/1130725935.db2.gz OTLBJQQTEGZDGP-KRWDZBQOSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429805 1130743438 /nfs/dbraw/zinc/74/34/38/1130743438.db2.gz ZWAATVYUDDITOS-SJORKVTESA-N 2 0 266.473 3.668 20 30 CHEDRP CCCCCCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235662459 1130762563 /nfs/dbraw/zinc/76/25/63/1130762563.db2.gz HSAUIFVUHHYNCX-UHFFFAOYSA-N 2 0 260.425 3.692 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675426 1130766367 /nfs/dbraw/zinc/76/63/67/1130766367.db2.gz YAIMQNOAFGJVCK-INIZCTEOSA-N 2 0 252.446 3.574 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958276 1130816679 /nfs/dbraw/zinc/81/66/79/1130816679.db2.gz CJWMUOXPZOOALP-BJWYYQGGSA-N 2 0 264.457 3.572 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236098992 1130860875 /nfs/dbraw/zinc/86/08/75/1130860875.db2.gz WNRHGRDENYUSDO-INIZCTEOSA-N 2 0 252.446 3.587 20 30 CHEDRP C=CCCCCCCC[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236212581 1130889457 /nfs/dbraw/zinc/88/94/57/1130889457.db2.gz IDYFJAMUHQYTEK-UHFFFAOYSA-N 2 0 266.473 3.975 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC[NH2+]CCC1 ZINC001236241421 1130902485 /nfs/dbraw/zinc/90/24/85/1130902485.db2.gz YVDBZOIJUYPQSO-UHFFFAOYSA-N 2 0 252.446 3.589 20 30 CHEDRP C=CCCCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373791 1130923142 /nfs/dbraw/zinc/92/31/42/1130923142.db2.gz LGLWDXXFSDIQGT-KRWDZBQOSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCCCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177444 1131074662 /nfs/dbraw/zinc/07/46/62/1131074662.db2.gz PLGIWJSIQALASV-UHFFFAOYSA-N 2 0 266.473 3.765 20 30 CHEDRP C#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237886734 1131148836 /nfs/dbraw/zinc/14/88/36/1131148836.db2.gz QWASBXJYFPTDCZ-INIZCTEOSA-N 2 0 294.442 3.533 20 30 CHEDRP C=CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001278254234 1131219918 /nfs/dbraw/zinc/21/99/18/1131219918.db2.gz RNSXRAXEGCHNES-ZWKOTPCHSA-N 2 0 287.451 3.506 20 30 CHEDRP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278253722 1131220522 /nfs/dbraw/zinc/22/05/22/1131220522.db2.gz LOIPRYZIPKYWIC-GOSISDBHSA-N 2 0 276.468 3.683 20 30 CHEDRP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC001246280629 1131440609 /nfs/dbraw/zinc/44/06/09/1131440609.db2.gz RBKOYMUVBXLUAA-ARFHVFGLSA-N 2 0 254.462 3.985 20 30 CHEDRP C#C[C@@H](CC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000824363683 1131465542 /nfs/dbraw/zinc/46/55/42/1131465542.db2.gz HXNXNPSWYDDHAK-HNNXBMFYSA-N 2 0 278.484 3.667 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938334 1131609901 /nfs/dbraw/zinc/60/99/01/1131609901.db2.gz GPVHSCHGCWDHJG-LMCOJAPRSA-N 2 0 298.474 3.666 20 30 CHEDRP CCCCCCC[C@H](C)[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001246692407 1131782622 /nfs/dbraw/zinc/78/26/22/1131782622.db2.gz NSDPTDGJNRWNFS-XHSDSOJGSA-N 2 0 284.463 3.744 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156946 1132123522 /nfs/dbraw/zinc/12/35/22/1132123522.db2.gz UQGJPFSHRQBAGV-GUFYHEMZSA-N 2 0 270.436 3.664 20 30 CHEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001172484094 1132230673 /nfs/dbraw/zinc/23/06/73/1132230673.db2.gz XPKUPBSWCJIPCK-MRXNPFEDSA-N 2 0 291.483 3.703 20 30 CHEDRP C[C@@H](CCCC#N)[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172484705 1132231127 /nfs/dbraw/zinc/23/11/27/1132231127.db2.gz CBHDQZGEJSJALV-BQFCYCMXSA-N 2 0 291.483 3.973 20 30 CHEDRP C#Cc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001231663844 1132342694 /nfs/dbraw/zinc/34/26/94/1132342694.db2.gz SUEGKEHDNCHQGQ-VQTJNVASSA-N 2 0 296.458 3.507 20 30 CHEDRP C=CCCCC[N@@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173112449 1132393448 /nfs/dbraw/zinc/39/34/48/1132393448.db2.gz BFAMTZKLVHBSJA-UHFFFAOYSA-N 2 0 266.473 3.928 20 30 CHEDRP C[NH+](C)CC[C@@H]([NH2+]C1CCC(CC#N)CC1)c1ccccc1 ZINC001173325890 1132461649 /nfs/dbraw/zinc/46/16/49/1132461649.db2.gz PKQOOHRTCIWZKW-NKELODKYSA-N 2 0 299.462 3.741 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205000307 1133514691 /nfs/dbraw/zinc/51/46/91/1133514691.db2.gz DBEQJHOOYSVKNC-FVNWOWOISA-N 2 0 266.473 3.835 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205538926 1133586456 /nfs/dbraw/zinc/58/64/56/1133586456.db2.gz RDZBXMPKMVNJFG-MRXNPFEDSA-N 2 0 272.452 3.890 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001208176984 1133898991 /nfs/dbraw/zinc/89/89/91/1133898991.db2.gz LYGSHJFGEZCFFU-GOSISDBHSA-N 2 0 276.468 3.707 20 30 CHEDRP C=CCCCC[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161625 1135203297 /nfs/dbraw/zinc/20/32/97/1135203297.db2.gz QHIYWYJIMDGFKP-QGZVFWFLSA-N 2 0 264.457 3.589 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CC([NH3+])C2)CC1 ZINC001222211093 1135208019 /nfs/dbraw/zinc/20/80/19/1135208019.db2.gz FMSBRVZJRNBJDR-UHFFFAOYSA-N 2 0 264.457 3.716 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615755 1135256611 /nfs/dbraw/zinc/25/66/11/1135256611.db2.gz SAOUYONGXPCRJP-DLBZAZTESA-N 2 0 264.457 3.587 20 30 CHEDRP C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379659001 330146336 /nfs/dbraw/zinc/14/63/36/330146336.db2.gz XZWZLMWQMCTDJI-SJLPKXTDSA-N 2 0 272.436 3.595 20 30 CHEDRP C=CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000422991474 330163195 /nfs/dbraw/zinc/16/31/95/330163195.db2.gz BEZSNMKCQDXVKY-NVXWUHKLSA-N 2 0 260.425 3.801 20 30 CHEDRP C=CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423154599 330173501 /nfs/dbraw/zinc/17/35/01/330173501.db2.gz JSYPYWJKGQTDSW-BRWVUGGUSA-N 2 0 276.468 3.633 20 30 CHEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423402763 330196419 /nfs/dbraw/zinc/19/64/19/330196419.db2.gz WQHAWRRUGTZPDQ-QGZVFWFLSA-N 2 0 258.409 3.514 20 30 CHEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000423428823 330198514 /nfs/dbraw/zinc/19/85/14/330198514.db2.gz RVFFGEULQVRBAO-JYJNAYRXSA-N 2 0 276.424 3.642 20 30 CHEDRP C=C1CC[NH+](Cc2ccc(C[NH+]3CCC(=C)CC3)cc2)CC1 ZINC000533283312 330356503 /nfs/dbraw/zinc/35/65/03/330356503.db2.gz YXXIAFRGLQXKHT-UHFFFAOYSA-N 2 0 296.458 3.991 20 30 CHEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000130531093 330367092 /nfs/dbraw/zinc/36/70/92/330367092.db2.gz WAKXMCGROFUNDI-INIZCTEOSA-N 2 0 274.452 3.973 20 30 CHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000482152470 331825529 /nfs/dbraw/zinc/82/55/29/331825529.db2.gz RCGNWRCMWLJNND-IAGOWNOFSA-N 2 0 293.499 3.807 20 30 CHEDRP C=CCCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548159021 334143753 /nfs/dbraw/zinc/14/37/53/334143753.db2.gz PBEFKEXSDJJJDP-MJGOQNOKSA-N 2 0 286.463 3.843 20 30 CHEDRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245959219 334225813 /nfs/dbraw/zinc/22/58/13/334225813.db2.gz XVBFKCLNBGNMQZ-BRWVUGGUSA-N 2 0 299.462 3.577 20 30 CHEDRP C=CCCCCCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001209441839 1118060213 /nfs/dbraw/zinc/06/02/13/1118060213.db2.gz KWEBVIUCQNWKDK-HDICACEKSA-N 2 0 278.484 3.787 20 30 CHEDRP C#CCCCCCC[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001183065033 1122204973 /nfs/dbraw/zinc/20/49/73/1122204973.db2.gz DAWJOPAZOSPOLC-ROUUACIJSA-N 2 0 278.484 3.622 20 30 CHEDRP CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201852663 1123152249 /nfs/dbraw/zinc/15/22/49/1123152249.db2.gz GQPSDHQNZIUVHJ-IAGOWNOFSA-N 2 0 266.473 3.621 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000845928034 1131670834 /nfs/dbraw/zinc/67/08/34/1131670834.db2.gz MECJULHVLVFLJA-GOEBONIOSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245726935 1125591901 /nfs/dbraw/zinc/59/19/01/1125591901.db2.gz PQLUOSOQHOMLRS-DSLXNQLJSA-N 2 0 284.447 3.736 20 30 CHEDRP C=CC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245726950 1125591987 /nfs/dbraw/zinc/59/19/87/1125591987.db2.gz PQLUOSOQHOMLRS-OWYHZJEWSA-N 2 0 284.447 3.736 20 30 CHEDRP C[C@H](NC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185827463 1126903256 /nfs/dbraw/zinc/90/32/56/1126903256.db2.gz AUCZOFNQWWTKMJ-BQFCYCMXSA-N 2 0 299.462 3.788 20 30 CHEDRP CCCCCCCC[N@H+](C)CC1(C)CC[NH2+]CC1 ZINC001235663798 1130761649 /nfs/dbraw/zinc/76/16/49/1130761649.db2.gz KXXYOXPQGRAREU-UHFFFAOYSA-N 2 0 254.462 3.668 20 30 CHEDRP CC[N@H+](CCC[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000593660647 1127393897 /nfs/dbraw/zinc/39/38/97/1127393897.db2.gz LWUURQQOUXHCQA-UHFFFAOYSA-N 2 0 293.499 3.951 20 30 CHEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000602514246 1127589828 /nfs/dbraw/zinc/58/98/28/1127589828.db2.gz RUBIKULJEICKIO-KRWDZBQOSA-N 2 0 299.462 3.702 20 30 CHEDRP CCC(CC)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593687179 1127659764 /nfs/dbraw/zinc/65/97/64/1127659764.db2.gz DBSNPZYTCMIHNS-UHFFFAOYSA-N 2 0 299.462 3.548 20 30 CHEDRP CCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246229001 1131415045 /nfs/dbraw/zinc/41/50/45/1131415045.db2.gz HTQCFWMXIBGNFC-LSDHHAIUSA-N 2 0 254.462 3.713 20 30 CHEDRP C[NH+]1CCC2(CCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000374178381 1127876897 /nfs/dbraw/zinc/87/68/97/1127876897.db2.gz YFECIPXHBUZHJG-UHFFFAOYSA-N 2 0 291.483 3.514 20 30 CHEDRP C=C(C)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000540196663 1127969491 /nfs/dbraw/zinc/96/94/91/1127969491.db2.gz GVPHHQGRGDQHSU-UHFFFAOYSA-N 2 0 266.473 3.643 20 30 CHEDRP C=CCCCCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000385032308 1128046707 /nfs/dbraw/zinc/04/67/07/1128046707.db2.gz HGEYRYAOUUXFMR-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP CC(C)CC[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000926713267 1128189916 /nfs/dbraw/zinc/18/99/16/1128189916.db2.gz QBOLQXIHYRRYTH-UHFFFAOYSA-N 2 0 291.483 3.561 20 30 CHEDRP C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036714 1128210318 /nfs/dbraw/zinc/21/03/18/1128210318.db2.gz FJLRTCHPLRMHHI-JUVOFCAFSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CC1 ZINC000927036630 1128210388 /nfs/dbraw/zinc/21/03/88/1128210388.db2.gz DWWFZTVQANKLSK-ADKAHSJRSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CC1 ZINC000927036631 1128210416 /nfs/dbraw/zinc/21/04/16/1128210416.db2.gz DWWFZTVQANKLSK-LXPRWKDFSA-N 2 0 276.468 3.728 20 30 CHEDRP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258049445 1128688769 /nfs/dbraw/zinc/68/87/69/1128688769.db2.gz HYLMCGDSZMMMQS-IAGOWNOFSA-N 2 0 266.473 3.763 20 30 CHEDRP CCCCCCCCC[N@H+](CC)C1CC[NH2+]CC1 ZINC000102956359 1118952492 /nfs/dbraw/zinc/95/24/92/1118952492.db2.gz CLNUBRHFIRZBQP-UHFFFAOYSA-N 2 0 254.462 3.811 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000658035387 1119671473 /nfs/dbraw/zinc/67/14/73/1119671473.db2.gz MRERTZUJKQSBMB-NVXWUHKLSA-N 2 0 269.392 3.559 20 30 CHEDRP C=CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000414178007 1119928678 /nfs/dbraw/zinc/92/86/78/1119928678.db2.gz JPHPGVMAMJSREY-JKSUJKDBSA-N 2 0 276.424 3.608 20 30 CHEDRP C=C(C)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508960804 1120560934 /nfs/dbraw/zinc/56/09/34/1120560934.db2.gz ANNKLHWCWDEBDI-UHFFFAOYSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCCC)CC2)C1 ZINC000651689425 1120712224 /nfs/dbraw/zinc/71/22/24/1120712224.db2.gz UIHSQPWBNZIVJO-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925763680 1120923885 /nfs/dbraw/zinc/92/38/85/1120923885.db2.gz BUKIETQEGPIFIC-DAWZGUTISA-N 2 0 272.436 3.944 20 30 CHEDRP C=CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C(C)(C)C ZINC001167841006 1121052586 /nfs/dbraw/zinc/05/25/86/1121052586.db2.gz JHWVCNTURVROTH-HNNXBMFYSA-N 2 0 254.462 3.783 20 30 CHEDRP C=CCCCC[N@@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167840686 1121053005 /nfs/dbraw/zinc/05/30/05/1121053005.db2.gz HLYQUMBQEUCLIG-MRXNPFEDSA-N 2 0 254.462 3.785 20 30 CHEDRP C=C(CC)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512238001 1121217425 /nfs/dbraw/zinc/21/74/25/1121217425.db2.gz XOGZIWHEURRSBS-IBGZPJMESA-N 2 0 284.447 3.551 20 30 CHEDRP N#CCCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000433023492 1121522430 /nfs/dbraw/zinc/52/24/30/1121522430.db2.gz QNCCTZCSKYGKAB-LJQANCHMSA-N 2 0 299.462 3.887 20 30 CHEDRP C#CCCCCCC[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001183065031 1122204300 /nfs/dbraw/zinc/20/43/00/1122204300.db2.gz DAWJOPAZOSPOLC-MSOLQXFVSA-N 2 0 278.484 3.622 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)C1CC1 ZINC000439005935 1122745701 /nfs/dbraw/zinc/74/57/01/1122745701.db2.gz WSBCBNRDZNDNJN-IBGZPJMESA-N 2 0 286.463 3.973 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205904747 1123068997 /nfs/dbraw/zinc/06/89/97/1123068997.db2.gz XELFPXIVIQARCN-HOTGVXAUSA-N 2 0 252.446 3.572 20 30 CHEDRP CCCCCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001201804598 1123151202 /nfs/dbraw/zinc/15/12/02/1123151202.db2.gz PQJKVDBGOSYQDF-UHFFFAOYSA-N 2 0 266.473 3.907 20 30 CHEDRP CCCCCCCC[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252136113 1123228497 /nfs/dbraw/zinc/22/84/97/1123228497.db2.gz MRFMTPYYFXAXTR-SFHVURJKSA-N 2 0 298.515 3.564 20 30 CHEDRP C=CC[NH+]1CCC(Nc2cc(CC)[nH+]c3ccccc23)CC1 ZINC000301804567 1123934638 /nfs/dbraw/zinc/93/46/38/1123934638.db2.gz UYXSRONYMSQVCD-UHFFFAOYSA-N 2 0 295.430 3.860 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000865765391 1124012276 /nfs/dbraw/zinc/01/22/76/1124012276.db2.gz SRJPDDZVDPBTKK-ORBLRFAASA-N 2 0 264.457 3.584 20 30 CHEDRP C[NH+](C)CCCC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444687923 1124051360 /nfs/dbraw/zinc/05/13/60/1124051360.db2.gz HRFSWWFUBXYAOG-UHFFFAOYSA-N 2 0 293.499 3.760 20 30 CHEDRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000866467390 1124069199 /nfs/dbraw/zinc/06/91/99/1124069199.db2.gz GSWUAHLRKBQHPJ-INIZCTEOSA-N 2 0 299.462 3.719 20 30 CHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001245989777 1131266545 /nfs/dbraw/zinc/26/65/45/1131266545.db2.gz XZAYGYOTHFISPY-BZSNNMDCSA-N 2 0 298.515 3.738 20 30 CHEDRP CCC[NH+](CCC)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449060235 1124640972 /nfs/dbraw/zinc/64/09/72/1124640972.db2.gz RZDMIRZVZZOFSD-UHFFFAOYSA-N 2 0 279.472 3.561 20 30 CHEDRP CC(C)(C#N)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948503 1125240945 /nfs/dbraw/zinc/24/09/45/1125240945.db2.gz FCWPPMWZBPZSNZ-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883173815 1125374804 /nfs/dbraw/zinc/37/48/04/1125374804.db2.gz UROYPNIFGZPLJG-AABGKKOBSA-N 2 0 298.474 3.780 20 30 CHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000772856237 1131357023 /nfs/dbraw/zinc/35/70/23/1131357023.db2.gz LWRGWDIVQPDZBL-SFHVURJKSA-N 2 0 272.436 3.625 20 30 CHEDRP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000348047463 1129277158 /nfs/dbraw/zinc/27/71/58/1129277158.db2.gz NUDJUWSINUAMFH-LJQANCHMSA-N 2 0 299.462 3.501 20 30 CHEDRP C=CCC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639306474 1129301607 /nfs/dbraw/zinc/30/16/07/1129301607.db2.gz DOGOTHKTTBEDTL-SJLPKXTDSA-N 2 0 270.420 3.520 20 30 CHEDRP CCCCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250807513 1129498579 /nfs/dbraw/zinc/49/85/79/1129498579.db2.gz GFDGWSHEZHJANM-SJORKVTESA-N 2 0 266.473 3.953 20 30 CHEDRP CCCCCCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000232968040 1129515564 /nfs/dbraw/zinc/51/55/64/1129515564.db2.gz UQWPEOMFFZMTFB-MRXNPFEDSA-N 2 0 266.473 3.811 20 30 CHEDRP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903427264 1130176026 /nfs/dbraw/zinc/17/60/26/1130176026.db2.gz UCMPLFSMXCJETI-NWDGAFQWSA-N 2 0 284.856 3.517 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000793526482 1130564920 /nfs/dbraw/zinc/56/49/20/1130564920.db2.gz MLMINFHVVIIHBB-INIZCTEOSA-N 2 0 266.473 3.833 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031655 1130703720 /nfs/dbraw/zinc/70/37/20/1130703720.db2.gz NBLMQUSKGWFJJE-SFHVURJKSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092530 1130710220 /nfs/dbraw/zinc/71/02/20/1130710220.db2.gz LCOSDQHQLLULNN-UHFFFAOYSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC/C=C/CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235256985 1130728781 /nfs/dbraw/zinc/72/87/81/1130728781.db2.gz VSSSYWBCNJUHQX-AFYXXPPBSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCCCCC[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337189 1130733553 /nfs/dbraw/zinc/73/35/53/1130733553.db2.gz HCCIHTDLMUAWNS-MRXNPFEDSA-N 2 0 266.473 3.668 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399385 1130738524 /nfs/dbraw/zinc/73/85/24/1130738524.db2.gz AWHNOLLCHACELK-ZWKOTPCHSA-N 2 0 296.474 3.927 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399380 1130738795 /nfs/dbraw/zinc/73/87/95/1130738795.db2.gz AWHNOLLCHACELK-MSOLQXFVSA-N 2 0 296.474 3.927 20 30 CHEDRP CCCCCCCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001235664328 1130763797 /nfs/dbraw/zinc/76/37/97/1130763797.db2.gz QYNNDWUVAXUDHW-MRXNPFEDSA-N 2 0 254.462 3.668 20 30 CHEDRP N#CCC[N@H+](CCC1CC[NH2+]CC1)C1CCCCCCC1 ZINC001235664341 1130764683 /nfs/dbraw/zinc/76/46/83/1130764683.db2.gz RMLKXVGYLPWAAH-UHFFFAOYSA-N 2 0 291.483 3.705 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC001235748654 1130775968 /nfs/dbraw/zinc/77/59/68/1130775968.db2.gz DDGGTOKJGCZDBQ-MRXNPFEDSA-N 2 0 252.446 3.574 20 30 CHEDRP CCCCCCC/C=C/C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950885 1130814882 /nfs/dbraw/zinc/81/48/82/1130814882.db2.gz OMMQHZYZBKUKFL-FVNWOWOISA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481077 1130952396 /nfs/dbraw/zinc/95/23/96/1130952396.db2.gz ONMOLZZKMYGEDO-UHFFFAOYSA-N 2 0 290.426 3.654 20 30 CHEDRP C=CCCCC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768697 1131005525 /nfs/dbraw/zinc/00/55/25/1131005525.db2.gz OKQZHZBLMZLPND-WKILWMFISA-N 2 0 266.473 3.961 20 30 CHEDRP C=CCCCCC[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947927 1131033484 /nfs/dbraw/zinc/03/34/84/1131033484.db2.gz NCSFUGZHQHGKKE-UHFFFAOYSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001278253724 1131219684 /nfs/dbraw/zinc/21/96/84/1131219684.db2.gz LOIPRYZIPKYWIC-SFHVURJKSA-N 2 0 276.468 3.683 20 30 CHEDRP C=CCCC[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001278253709 1131219996 /nfs/dbraw/zinc/21/99/96/1131219996.db2.gz LCWXYQFUHILGPM-UHFFFAOYSA-N 2 0 276.468 3.683 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC001246249287 1131431154 /nfs/dbraw/zinc/43/11/54/1131431154.db2.gz IVBMJSFRLYZQBU-LSDHHAIUSA-N 2 0 254.462 3.713 20 30 CHEDRP C=CCCCC[N@@H+](C)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246869946 1131797854 /nfs/dbraw/zinc/79/78/54/1131797854.db2.gz JGXSNCCMFSXEJV-ZSHCYNCHSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716718471 1132030061 /nfs/dbraw/zinc/03/00/61/1132030061.db2.gz ONHYGIVJFIOLQE-KANFNMMFSA-N 2 0 284.447 3.594 20 30 CHEDRP CC1(C)C[C@H]([NH2+]CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC001171972913 1132118184 /nfs/dbraw/zinc/11/81/84/1132118184.db2.gz UHEOQKNJVKZLLP-GOSISDBHSA-N 2 0 299.462 3.713 20 30 CHEDRP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978022 1132119818 /nfs/dbraw/zinc/11/98/18/1132119818.db2.gz FIFFPUBEQMYZFW-LJQANCHMSA-N 2 0 298.474 3.823 20 30 CHEDRP CC(C)[PH+](CC[NH2+][C@H](C)CCCC#N)C(C)C ZINC001172491260 1132246757 /nfs/dbraw/zinc/24/67/57/1132246757.db2.gz FTOPXXHOUNULNY-CQSZACIVSA-N 2 0 256.374 3.957 20 30 CHEDRP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001172489541 1132247163 /nfs/dbraw/zinc/24/71/63/1132247163.db2.gz UTPOENJLQTWDIW-INIZCTEOSA-N 2 0 291.483 3.703 20 30 CHEDRP CC[NH+](CC)C1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001173111719 1132393475 /nfs/dbraw/zinc/39/34/75/1132393475.db2.gz KHJVIUMPVCQJBM-UHFFFAOYSA-N 2 0 299.462 3.643 20 30 CHEDRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331236 1132462662 /nfs/dbraw/zinc/46/26/62/1132462662.db2.gz AOCYTDBTGWLIKV-MUYFXNHWSA-N 2 0 299.462 3.556 20 30 CHEDRP CC[NH+](CC)C1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173590872 1132496757 /nfs/dbraw/zinc/49/67/57/1132496757.db2.gz PIKTXENMSIQJBX-UHFFFAOYSA-N 2 0 291.483 3.701 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984114 1133637955 /nfs/dbraw/zinc/63/79/55/1133637955.db2.gz RBRXGARXQSPYFN-HOTGVXAUSA-N 2 0 254.462 3.654 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209207358 1133988219 /nfs/dbraw/zinc/98/82/19/1133988219.db2.gz VLKHSYFHDWKMPL-WOJBJXKFSA-N 2 0 298.474 3.797 20 30 CHEDRP C=CCCCCC[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161832 1135203442 /nfs/dbraw/zinc/20/34/42/1135203442.db2.gz REFVRBONAVJBRT-GOSISDBHSA-N 2 0 278.484 3.979 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226784004 1135741220 /nfs/dbraw/zinc/74/12/20/1135741220.db2.gz JCMUKWQDCMTCAM-UHFFFAOYSA-N 2 0 266.473 3.955 20 30 CHEDRP CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000365442362 262365489 /nfs/dbraw/zinc/36/54/89/262365489.db2.gz JQLJGUPBXJWZCZ-KRWDZBQOSA-N 2 0 291.483 3.657 20 30 CHEDRP N#CCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340450573 263155100 /nfs/dbraw/zinc/15/51/00/263155100.db2.gz NNOGPOFNBACNFW-QRVBRYPASA-N 2 0 297.446 3.638 20 30 CHEDRP C=CC1CC[NH+](CCCCC[NH+]2CCC(C=C)CC2)CC1 ZINC000584202923 327063547 /nfs/dbraw/zinc/06/35/47/327063547.db2.gz OODCRMNIQGQBNY-UHFFFAOYSA-N 2 0 290.495 3.953 20 30 CHEDRP C=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034651 330166663 /nfs/dbraw/zinc/16/66/63/330166663.db2.gz XVOQDJGUCWSKAJ-CEXWTWQISA-N 2 0 284.447 3.600 20 30 CHEDRP C=C(C)[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423049959 330167173 /nfs/dbraw/zinc/16/71/73/330167173.db2.gz KNAKQIDSUZTQOP-MLGOLLRUSA-N 2 0 282.378 3.689 20 30 CHEDRP C=C(C)[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423054431 330170417 /nfs/dbraw/zinc/17/04/17/330170417.db2.gz UJYAUKJOOYSRLT-MKTAYPAQSA-N 2 0 294.389 3.689 20 30 CHEDRP C=CCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000423162564 330173835 /nfs/dbraw/zinc/17/38/35/330173835.db2.gz PWPSHCLPCAYQJD-WMZOPIPTSA-N 2 0 286.463 3.671 20 30 CHEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423174710 330174844 /nfs/dbraw/zinc/17/48/44/330174844.db2.gz CNQNDYIFAAJZHM-LSTHTHJFSA-N 2 0 292.426 3.908 20 30 CHEDRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000449230519 330907844 /nfs/dbraw/zinc/90/78/44/330907844.db2.gz AOTVGKZGXFWNTK-UHFFFAOYSA-N 2 0 279.472 3.559 20 30 CHEDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(C#N)cc1 ZINC000278833104 522615686 /nfs/dbraw/zinc/61/56/86/522615686.db2.gz UFUJGPUGRXJIHX-HKUYNNGSSA-N 2 0 299.462 3.719 20 30 CHEDRP CCCCCCCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001201853058 1123153384 /nfs/dbraw/zinc/15/33/84/1123153384.db2.gz ZQGMEXZDERDTSD-UHFFFAOYSA-N 2 0 266.473 3.765 20 30 CHEDRP CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC001246794835 1131783030 /nfs/dbraw/zinc/78/30/30/1131783030.db2.gz HDLNOJKQZCWGMK-HOTGVXAUSA-N 2 0 254.462 3.796 20 30 CHEDRP C#CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245670558 1125587115 /nfs/dbraw/zinc/58/71/15/1125587115.db2.gz HGSIXLQQAVTOKS-OWZKRDHZSA-N 2 0 296.458 3.575 20 30 CHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248730614 1125674424 /nfs/dbraw/zinc/67/44/24/1125674424.db2.gz DEEFBHLKGGPTAU-VQIMIIECSA-N 2 0 299.462 3.699 20 30 CHEDRP C#C[C@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886649497 1125702626 /nfs/dbraw/zinc/70/26/26/1125702626.db2.gz CANGVMBQFUPAEG-POSCCBCBSA-N 2 0 288.479 3.565 20 30 CHEDRP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000159918693 1126758698 /nfs/dbraw/zinc/75/86/98/1126758698.db2.gz DYTNBFTXJBUUQA-OTWHNJEPSA-N 2 0 284.447 3.910 20 30 CHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000287279664 1127299524 /nfs/dbraw/zinc/29/95/24/1127299524.db2.gz CVHIOYFVVBDKON-KRWDZBQOSA-N 2 0 288.435 3.751 20 30 CHEDRP CCC1([NH+]2CCCC2)CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000602731837 1127610935 /nfs/dbraw/zinc/61/09/35/1127610935.db2.gz BVRGMVTWEFQYSP-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411310939 1127853051 /nfs/dbraw/zinc/85/30/51/1127853051.db2.gz VYNOJDNODLCPPH-QGZVFWFLSA-N 2 0 291.483 3.514 20 30 CHEDRP C[C@@H](CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000411350614 1127856864 /nfs/dbraw/zinc/85/68/64/1127856864.db2.gz SGQUCFVWBHJBBS-SJORKVTESA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCC[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000540296778 1127972761 /nfs/dbraw/zinc/97/27/61/1127972761.db2.gz CKHWJSYTIZAHJT-HOTGVXAUSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CCC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000544373255 1127970851 /nfs/dbraw/zinc/97/08/51/1127970851.db2.gz WAKFCBJOKYLLBY-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(C)CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000470906981 1128080321 /nfs/dbraw/zinc/08/03/21/1128080321.db2.gz QLPKUCUNIVXFPD-SFHVURJKSA-N 2 0 272.436 3.549 20 30 CHEDRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443990565 1128109641 /nfs/dbraw/zinc/10/96/41/1128109641.db2.gz TWMDUKJXVIQYAV-KRWDZBQOSA-N 2 0 299.462 3.611 20 30 CHEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000925232382 1128126245 /nfs/dbraw/zinc/12/62/45/1128126245.db2.gz KFAJDSHVUJFWAG-INIZCTEOSA-N 2 0 293.499 3.662 20 30 CHEDRP C=CCCCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298095835 1129226636 /nfs/dbraw/zinc/22/66/36/1129226636.db2.gz NCAPDTGTPGIYPQ-UHFFFAOYSA-N 2 0 287.451 3.777 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC2(C#N)CCC2)C[C@H]1C ZINC000929779752 1128287152 /nfs/dbraw/zinc/28/71/52/1128287152.db2.gz IJTQFSTXHDRZSE-IAGOWNOFSA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCCCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001209431010 1118051737 /nfs/dbraw/zinc/05/17/37/1118051737.db2.gz GTQVJPHTSJHSAE-UHFFFAOYSA-N 2 0 264.457 3.683 20 30 CHEDRP C=CCCCCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001209446346 1118064871 /nfs/dbraw/zinc/06/48/71/1118064871.db2.gz XLIGSPHDJVORDN-SFHVURJKSA-N 2 0 278.484 3.931 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC)CC1 ZINC000657823076 1119467992 /nfs/dbraw/zinc/46/79/92/1119467992.db2.gz IHZXTECDUSQVTE-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000657908924 1119627144 /nfs/dbraw/zinc/62/71/44/1119627144.db2.gz NBHWTYUOCDWFIT-NVXWUHKLSA-N 2 0 278.484 3.974 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000658039286 1119670612 /nfs/dbraw/zinc/67/06/12/1119670612.db2.gz XQBMJAIVPBUTOF-ZGRYLRDCSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000658035386 1119671646 /nfs/dbraw/zinc/67/16/46/1119671646.db2.gz MRERTZUJKQSBMB-DOTOQJQBSA-N 2 0 269.392 3.559 20 30 CHEDRP C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926840190 1120130883 /nfs/dbraw/zinc/13/08/83/1120130883.db2.gz PMYDLLDEYPPEPE-GPMSIDNRSA-N 2 0 284.447 3.591 20 30 CHEDRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000181763680 1128902824 /nfs/dbraw/zinc/90/28/24/1128902824.db2.gz ARQXOPVLXQKVPP-WMLDXEAASA-N 2 0 287.451 3.575 20 30 CHEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353727 1120292238 /nfs/dbraw/zinc/29/22/38/1120292238.db2.gz QLWGDWMVXMGQDT-MRXNPFEDSA-N 2 0 278.484 3.833 20 30 CHEDRP CC1(C)C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925616283 1120470565 /nfs/dbraw/zinc/47/05/65/1120470565.db2.gz LTEUSLVUULSFGB-IKGGRYGDSA-N 2 0 285.435 3.527 20 30 CHEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000695843762 1120517035 /nfs/dbraw/zinc/51/70/35/1120517035.db2.gz RIEFOZZBUADFRP-HNNXBMFYSA-N 2 0 279.472 3.559 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922846506 1120611709 /nfs/dbraw/zinc/61/17/09/1120611709.db2.gz LTUFIKLUVDSRGB-NALMEZQBSA-N 2 0 276.468 3.728 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C1 ZINC000651750081 1120733100 /nfs/dbraw/zinc/73/31/00/1120733100.db2.gz VLKBOUHXKWZTID-ZACQAIPSSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000651817257 1120753934 /nfs/dbraw/zinc/75/39/34/1120753934.db2.gz FMEHTHZQLNTVSU-SJORKVTESA-N 2 0 264.457 3.587 20 30 CHEDRP C=CCCC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925764409 1120926005 /nfs/dbraw/zinc/92/60/05/1120926005.db2.gz HDYLAVVBQGMCQA-NXHRZFHOSA-N 2 0 272.436 3.672 20 30 CHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000658035388 1121123946 /nfs/dbraw/zinc/12/39/46/1121123946.db2.gz MRERTZUJKQSBMB-RDJZCZTQSA-N 2 0 269.392 3.559 20 30 CHEDRP C=CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000923301409 1121557130 /nfs/dbraw/zinc/55/71/30/1121557130.db2.gz HAHMLXFHOKPKBQ-MQVJKMGUSA-N 2 0 290.476 3.657 20 30 CHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411393447 1121576902 /nfs/dbraw/zinc/57/69/02/1121576902.db2.gz SRKBMOIIDUXUAR-IAGOWNOFSA-N 2 0 291.483 3.513 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542072 1122190522 /nfs/dbraw/zinc/19/05/22/1122190522.db2.gz QQTRLLKRULTAEC-MRXNPFEDSA-N 2 0 254.462 3.798 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436289193 1122533443 /nfs/dbraw/zinc/53/34/43/1122533443.db2.gz MEACUJSBFKVAND-NVXWUHKLSA-N 2 0 264.457 3.728 20 30 CHEDRP CCC#C[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001190792372 1122556538 /nfs/dbraw/zinc/55/65/38/1122556538.db2.gz VGYPORNAOXUWHY-GOSISDBHSA-N 2 0 298.474 3.632 20 30 CHEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC(C)(C)CCC#N ZINC000895686307 1123504820 /nfs/dbraw/zinc/50/48/20/1123504820.db2.gz QYNXVULGMKHHAT-UHFFFAOYSA-N 2 0 279.472 3.514 20 30 CHEDRP C=CC[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065671 1123875440 /nfs/dbraw/zinc/87/54/40/1123875440.db2.gz XKZWKBKPQHFPND-ALXJQNPVSA-N 2 0 272.436 3.546 20 30 CHEDRP C=C(C)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159060234 1129158288 /nfs/dbraw/zinc/15/82/88/1129158288.db2.gz VGFFJLGWPLPFEX-MRXNPFEDSA-N 2 0 264.457 3.539 20 30 CHEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001246045450 1131277672 /nfs/dbraw/zinc/27/76/72/1131277672.db2.gz VJFJXWVETBNLKS-ZWKOTPCHSA-N 2 0 298.515 3.549 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246102721 1131321143 /nfs/dbraw/zinc/32/11/43/1131321143.db2.gz WTIXZXBETBFQGA-XHSDSOJGSA-N 2 0 254.462 3.713 20 30 CHEDRP C#CCCCCCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000877083034 1125006212 /nfs/dbraw/zinc/00/62/12/1125006212.db2.gz HHFJLZFPTPDTKR-UHFFFAOYSA-N 2 0 276.468 3.567 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C[C@@H]1C ZINC001246109310 1131328612 /nfs/dbraw/zinc/32/86/12/1131328612.db2.gz AUYCTPCRRDJUDB-HRCADAONSA-N 2 0 254.462 3.713 20 30 CHEDRP CCCCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001246135252 1131345295 /nfs/dbraw/zinc/34/52/95/1131345295.db2.gz RJYXNJKZSQPLEM-QAETUUGQSA-N 2 0 266.473 3.856 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000883171659 1125375095 /nfs/dbraw/zinc/37/50/95/1125375095.db2.gz FBTWTEKKMFGSGA-RBUKOAKNSA-N 2 0 298.474 3.638 20 30 CHEDRP CCCCCCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000744418869 1129576270 /nfs/dbraw/zinc/57/62/70/1129576270.db2.gz GHIVQDFFKOZWBQ-MRXNPFEDSA-N 2 0 254.462 3.621 20 30 CHEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(CC2CCCCC2)C1 ZINC001258723559 1129580445 /nfs/dbraw/zinc/58/04/45/1129580445.db2.gz YCHAJJOQJGIUTO-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001258728789 1129588218 /nfs/dbraw/zinc/58/82/18/1129588218.db2.gz QEXCLROLAHEYHS-MRXNPFEDSA-N 2 0 276.468 3.682 20 30 CHEDRP CCCCCCC[N@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139478 1129702349 /nfs/dbraw/zinc/70/23/49/1129702349.db2.gz NMWUJXSUHNNNQD-BJWYYQGGSA-N 2 0 266.473 3.904 20 30 CHEDRP CCCCCCCCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246216803 1131405540 /nfs/dbraw/zinc/40/55/40/1131405540.db2.gz ITUQLOYMVXEBGJ-ZWKOTPCHSA-N 2 0 298.515 3.610 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246219757 1131407368 /nfs/dbraw/zinc/40/73/68/1131407368.db2.gz HNPDLCHZILJBGE-VSZNYVQBSA-N 2 0 280.500 3.959 20 30 CHEDRP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246219760 1131407646 /nfs/dbraw/zinc/40/76/46/1131407646.db2.gz HNPDLCHZILJBGE-ZJPYXAASSA-N 2 0 280.500 3.959 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246222998 1131411708 /nfs/dbraw/zinc/41/17/08/1131411708.db2.gz UFJKBHLCHQDHLK-QZWWFDLISA-N 2 0 266.473 3.713 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678769134 1130452630 /nfs/dbraw/zinc/45/26/30/1130452630.db2.gz LOYWLDJMIXBSDZ-UZLBHIALSA-N 2 0 298.474 3.940 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000793533593 1130565754 /nfs/dbraw/zinc/56/57/54/1130565754.db2.gz OBQILXCAIACPNP-MRXNPFEDSA-N 2 0 266.473 3.974 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234991019 1130701127 /nfs/dbraw/zinc/70/11/27/1130701127.db2.gz FPBSNGCTRCMFSV-KRWDZBQOSA-N 2 0 266.473 3.813 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030921 1130702215 /nfs/dbraw/zinc/70/22/15/1130702215.db2.gz IGRKUXMIXOMRBC-KBOKABMXSA-N 2 0 264.457 3.589 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235394233 1130739419 /nfs/dbraw/zinc/73/94/19/1130739419.db2.gz CONCELJABRLPHV-IBHATUTGSA-N 2 0 296.474 3.912 20 30 CHEDRP CCCCCCC[N@H+](CC)CCC12CC([NH3+])(C1)C2 ZINC001235660614 1130761835 /nfs/dbraw/zinc/76/18/35/1130761835.db2.gz HLOILPIUNHKWSP-UHFFFAOYSA-N 2 0 252.446 3.550 20 30 CHEDRP CCCCCCCCCC[N@H+](C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236424108 1130936770 /nfs/dbraw/zinc/93/67/70/1130936770.db2.gz REQOVIRNXYNFKP-FVQHAEBGSA-N 2 0 266.473 3.524 20 30 CHEDRP C=CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC001236432543 1130941041 /nfs/dbraw/zinc/94/10/41/1130941041.db2.gz ACQLFZTUIJOPFH-UHFFFAOYSA-N 2 0 290.476 3.715 20 30 CHEDRP C#Cc1cccc(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236571943 1130978694 /nfs/dbraw/zinc/97/86/94/1130978694.db2.gz NLQMZUGMNAYLCI-KESTWPANSA-N 2 0 296.458 3.682 20 30 CHEDRP CCCCCCC[NH2+][C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246227599 1131414504 /nfs/dbraw/zinc/41/45/04/1131414504.db2.gz DNZRKEKLTRYTFS-JKSUJKDBSA-N 2 0 254.462 3.857 20 30 CHEDRP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[C@@](C)([NH3+])C1 ZINC001246461288 1131510181 /nfs/dbraw/zinc/51/01/81/1131510181.db2.gz OPNGVYDHLGSKNW-HRCADAONSA-N 2 0 254.462 3.985 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@@H](C(C)C)C1C[NH2+]C1 ZINC001246515130 1131543479 /nfs/dbraw/zinc/54/34/79/1131543479.db2.gz JUQUSCWLAAEMNN-IRXDYDNUSA-N 2 0 268.489 3.959 20 30 CHEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938333 1131609836 /nfs/dbraw/zinc/60/98/36/1131609836.db2.gz GPVHSCHGCWDHJG-AFYVEPGGSA-N 2 0 298.474 3.666 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000845928035 1131670685 /nfs/dbraw/zinc/67/06/85/1131670685.db2.gz MECJULHVLVFLJA-HOCLYGCPSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CC[N@@H+]([C@H]1CC[NH2+][C@H](CCCC)C1)C(C)(C)C ZINC001246921281 1131816978 /nfs/dbraw/zinc/81/69/78/1131816978.db2.gz PDNDSCIZNSZLRC-CABCVRRESA-N 2 0 252.446 3.584 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156947 1132122779 /nfs/dbraw/zinc/12/27/79/1132122779.db2.gz UQGJPFSHRQBAGV-OFTJQPPSSA-N 2 0 270.436 3.664 20 30 CHEDRP CCCCCCC[C@@H](CCC)[NH2+]CCSCC[NH3+] ZINC001172509540 1132256894 /nfs/dbraw/zinc/25/68/94/1132256894.db2.gz YWUOLHJKBXZOKR-OAHLLOKOSA-N 2 0 274.518 3.797 20 30 CHEDRP CCCC[NH+]1CCC([N@H+](C)C2CCC(CC#N)CC2)CC1 ZINC001173339403 1132466089 /nfs/dbraw/zinc/46/60/89/1132466089.db2.gz GNXPXMGCHGYSGY-UHFFFAOYSA-N 2 0 291.483 3.655 20 30 CHEDRP C=CCc1cc(C)cnc1NCc1cccc(C[NH+](C)C)c1 ZINC001163993661 1133191079 /nfs/dbraw/zinc/19/10/79/1133191079.db2.gz RQAZABKXJSEADH-UHFFFAOYSA-N 2 0 295.430 3.792 20 30 CHEDRP C#CCCCCCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC001167024126 1133299911 /nfs/dbraw/zinc/29/99/11/1133299911.db2.gz QMNARKYRCJMJPC-UHFFFAOYSA-N 2 0 278.484 3.624 20 30 CHEDRP CCCCCCC/C=C/C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094173 1133527444 /nfs/dbraw/zinc/52/74/44/1133527444.db2.gz JWOYVUJWOATDPV-ROJDOSBLSA-N 2 0 252.446 3.716 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC1 ZINC001205605002 1133593625 /nfs/dbraw/zinc/59/36/25/1133593625.db2.gz YNHMTEBKITUVOH-JQHSSLGASA-N 2 0 276.468 3.596 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984113 1133637990 /nfs/dbraw/zinc/63/79/90/1133637990.db2.gz RBRXGARXQSPYFN-CVEARBPZSA-N 2 0 254.462 3.654 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257650 1133677326 /nfs/dbraw/zinc/67/73/26/1133677326.db2.gz GJUDQAUTYIWQBS-INIZCTEOSA-N 2 0 252.446 3.587 20 30 CHEDRP C=CC[NH+](CC=C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292353 1133788148 /nfs/dbraw/zinc/78/81/48/1133788148.db2.gz PEJQXSTZLKCCEA-UHFFFAOYSA-N 2 0 284.447 3.573 20 30 CHEDRP C=CCCC[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209166343 1133984325 /nfs/dbraw/zinc/98/43/25/1133984325.db2.gz YXQZCSHBQPHUFO-UHFFFAOYSA-N 2 0 264.457 3.682 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209440773 1134021146 /nfs/dbraw/zinc/02/11/46/1134021146.db2.gz CXQQUXYVOBIXET-UHFFFAOYSA-N 2 0 278.484 3.931 20 30 CHEDRP CCCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307732 1135221859 /nfs/dbraw/zinc/22/18/59/1135221859.db2.gz ATICIYYMXLKQGM-INIZCTEOSA-N 2 0 252.446 3.565 20 30 CHEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274209159 328209640 /nfs/dbraw/zinc/20/96/40/328209640.db2.gz MZQQKVCKEOXWPG-RBUKOAKNSA-N 2 0 299.462 3.700 20 30 CHEDRP C=CCCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449292282 327151430 /nfs/dbraw/zinc/15/14/30/327151430.db2.gz PYONHVCLDOVDPO-QGZVFWFLSA-N 2 0 286.463 3.638 20 30 CHEDRP C=CCCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000582431282 328987479 /nfs/dbraw/zinc/98/74/79/328987479.db2.gz YWDVCSOHGOHYHI-YESZJQIVSA-N 2 0 264.457 3.633 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422997579 330163483 /nfs/dbraw/zinc/16/34/83/330163483.db2.gz OKZSOPOLADTYON-VMWRSERWSA-N 2 0 272.436 3.801 20 30 CHEDRP C=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034653 330166531 /nfs/dbraw/zinc/16/65/31/330166531.db2.gz XVOQDJGUCWSKAJ-GUDVDZBRSA-N 2 0 284.447 3.600 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)C1CC1 ZINC000423296763 330188666 /nfs/dbraw/zinc/18/86/66/330188666.db2.gz ZTAHEBVEUBCDJX-CXAGYDPISA-N 2 0 258.409 3.541 20 30 CHEDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000423499421 330208082 /nfs/dbraw/zinc/20/80/82/330208082.db2.gz AWTPFUXXTIUFLF-HNAYVOBHSA-N 2 0 293.414 3.689 20 30 CHEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000119656714 330378159 /nfs/dbraw/zinc/37/81/59/330378159.db2.gz POTQSKYZACELRR-DLBZAZTESA-N 2 0 291.483 3.513 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000120201496 330386162 /nfs/dbraw/zinc/38/61/62/330386162.db2.gz LRSPYGATKPGNLN-GOSISDBHSA-N 2 0 278.484 3.833 20 30 CHEDRP C=CC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449487352 330930216 /nfs/dbraw/zinc/93/02/16/330930216.db2.gz YHKFGXYEKLOQDP-DOTOQJQBSA-N 2 0 278.484 3.831 20 30 CHEDRP C=CCCCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000488467086 332012130 /nfs/dbraw/zinc/01/21/30/332012130.db2.gz QOSQBMLUCWKLLZ-JKSUJKDBSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CC[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000552275451 334311456 /nfs/dbraw/zinc/31/14/56/334311456.db2.gz WGQXBEAJJFLGKX-IPJUCJBFSA-N 2 0 286.463 3.984 20 30 CHEDRP C=C[C@@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1C=C ZINC000581107547 336009120 /nfs/dbraw/zinc/00/91/20/336009120.db2.gz JSUBJMFIRWCPJT-QZTJIDSGSA-N 2 0 276.468 3.848 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353415624 528118790 /nfs/dbraw/zinc/11/87/90/528118790.db2.gz VZXCHWAIPDPPGA-KXBFYZLASA-N 2 0 299.462 3.646 20 30 CHEDRP C=C(Cl)C[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC(=C)Cl)CC1 ZINC000886386791 1125676528 /nfs/dbraw/zinc/67/65/28/1125676528.db2.gz HFUMSBLSXNAMCQ-HDJSIYSDSA-N 2 0 291.266 3.666 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886610782 1125696854 /nfs/dbraw/zinc/69/68/54/1125696854.db2.gz JSOYMYWZCHXLSV-UHFFFAOYSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000793526206 1130563598 /nfs/dbraw/zinc/56/35/98/1130563598.db2.gz KXLSAOPFKPBECS-SJORKVTESA-N 2 0 266.473 3.833 20 30 CHEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591571007 1127309230 /nfs/dbraw/zinc/30/92/30/1127309230.db2.gz SKQZWQHEPXDANV-VKJFTORMSA-N 2 0 285.435 3.520 20 30 CHEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591571006 1127309256 /nfs/dbraw/zinc/30/92/56/1127309256.db2.gz SKQZWQHEPXDANV-RVKKMQEKSA-N 2 0 285.435 3.520 20 30 CHEDRP C=CCCSCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000594960244 1127440598 /nfs/dbraw/zinc/44/05/98/1127440598.db2.gz NUZSLAHJMTYAOR-UHFFFAOYSA-N 2 0 296.524 3.682 20 30 CHEDRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602599386 1127595241 /nfs/dbraw/zinc/59/52/41/1127595241.db2.gz IULKVSSYPGCAEM-QGZVFWFLSA-N 2 0 293.499 3.760 20 30 CHEDRP CCC1([NH+]2CCCC2)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000602948262 1127622498 /nfs/dbraw/zinc/62/24/98/1127622498.db2.gz BZGNMMFNJHOJIR-UHFFFAOYSA-N 2 0 291.483 3.657 20 30 CHEDRP CC1(C#N)CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925806522 1128143068 /nfs/dbraw/zinc/14/30/68/1128143068.db2.gz FEOBCGGVQHXUQD-UHFFFAOYSA-N 2 0 291.483 3.608 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235255198 1128316075 /nfs/dbraw/zinc/31/60/75/1128316075.db2.gz LPXOBLNEVTZXLV-ROUUACIJSA-N 2 0 278.484 3.977 20 30 CHEDRP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000567374464 1128563376 /nfs/dbraw/zinc/56/33/76/1128563376.db2.gz CIEZZUAIHFSESY-IBGZPJMESA-N 2 0 299.462 3.863 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001258049168 1128688817 /nfs/dbraw/zinc/68/88/17/1128688817.db2.gz AQQXQNCRPNLGEF-GVDBMIGSSA-N 2 0 266.473 3.761 20 30 CHEDRP C=CCCCCCCC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768097 1117828678 /nfs/dbraw/zinc/82/86/78/1117828678.db2.gz HBELMZCQYPIRHN-CVEARBPZSA-N 2 0 252.446 3.572 20 30 CHEDRP C=CCCCCCCC[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209441841 1118060958 /nfs/dbraw/zinc/06/09/58/1118060958.db2.gz KWEBVIUCQNWKDK-ROUUACIJSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001167255915 1118123748 /nfs/dbraw/zinc/12/37/48/1118123748.db2.gz QBBQRBAKFGHODA-SFHVURJKSA-N 2 0 278.484 3.787 20 30 CHEDRP C=CCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000471584532 1118466893 /nfs/dbraw/zinc/46/68/93/1118466893.db2.gz HKJIZGRHUDLTHJ-SLFFLAALSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000582431279 1119080241 /nfs/dbraw/zinc/08/02/41/1119080241.db2.gz YWDVCSOHGOHYHI-BRWVUGGUSA-N 2 0 264.457 3.633 20 30 CHEDRP C=CCC[NH+](C)Cc1ccc(C[N@H+](C)CCC=C)cc1 ZINC000342730264 1119146990 /nfs/dbraw/zinc/14/69/90/1119146990.db2.gz JFWRHNRJWZRMSX-UHFFFAOYSA-N 2 0 272.436 3.702 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000245921275 1119385808 /nfs/dbraw/zinc/38/58/08/1119385808.db2.gz GKRWDJQSJKLZBP-FUHWJXTLSA-N 2 0 278.484 3.833 20 30 CHEDRP C=C(Cl)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057924397 1120194524 /nfs/dbraw/zinc/19/45/24/1120194524.db2.gz FRECWZAKLQTZCT-UHFFFAOYSA-N 2 0 292.854 3.583 20 30 CHEDRP C=C(C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925636743 1120501524 /nfs/dbraw/zinc/50/15/24/1120501524.db2.gz UINCTJMZKIWOSQ-LJQANCHMSA-N 2 0 280.415 3.770 20 30 CHEDRP C=CCCCCCC[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308760 1120533843 /nfs/dbraw/zinc/53/38/43/1120533843.db2.gz MFEXIJXSZDMQJH-KRWDZBQOSA-N 2 0 264.457 3.731 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001167841361 1121056758 /nfs/dbraw/zinc/05/67/58/1121056758.db2.gz LGUNSGROAYDDML-INIZCTEOSA-N 2 0 287.451 3.501 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512661420 1121517690 /nfs/dbraw/zinc/51/76/90/1121517690.db2.gz SCWCSYFAGCYADZ-IJXRJRJASA-N 2 0 298.474 3.841 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000152958072 1129013930 /nfs/dbraw/zinc/01/39/30/1129013930.db2.gz QLVMZOICIWTSQN-QGZVFWFLSA-N 2 0 286.463 3.995 20 30 CHEDRP C=CCC[C@@H](CC)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001180811549 1122018117 /nfs/dbraw/zinc/01/81/17/1122018117.db2.gz SCRDUEHEKZXQLC-JKSUJKDBSA-N 2 0 252.446 3.585 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC1 ZINC001205605006 1122655535 /nfs/dbraw/zinc/65/55/35/1122655535.db2.gz YNHMTEBKITUVOH-NXHRZFHOSA-N 2 0 276.468 3.596 20 30 CHEDRP C#C[C@@](C)(CC)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001194504737 1122781057 /nfs/dbraw/zinc/78/10/57/1122781057.db2.gz DNBIIXFLQVQYGY-IBGZPJMESA-N 2 0 284.447 3.564 20 30 CHEDRP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001199037643 1123018913 /nfs/dbraw/zinc/01/89/13/1123018913.db2.gz BOMZCCXHOOSWKF-HKUYNNGSSA-N 2 0 286.463 3.843 20 30 CHEDRP CCCCCCCC[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001201840149 1123155243 /nfs/dbraw/zinc/15/52/43/1123155243.db2.gz NKQDPATXZPOBLD-IAGOWNOFSA-N 2 0 266.473 3.621 20 30 CHEDRP CCCCCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001201874802 1123156807 /nfs/dbraw/zinc/15/68/07/1123156807.db2.gz GZQCHJUXSMXVQA-CALCHBBNSA-N 2 0 266.473 3.621 20 30 CHEDRP CC(C)[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC000444580853 1124043496 /nfs/dbraw/zinc/04/34/96/1124043496.db2.gz DTLSZFUPXYQCRA-UHFFFAOYSA-N 2 0 299.462 3.645 20 30 CHEDRP C=CCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000448028882 1124559039 /nfs/dbraw/zinc/55/90/39/1124559039.db2.gz PGNOJQXTAUKCKU-SLFFLAALSA-N 2 0 298.474 3.843 20 30 CHEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019549 1131274847 /nfs/dbraw/zinc/27/48/47/1131274847.db2.gz FVRXWRZBTFKHCQ-ROUUACIJSA-N 2 0 298.515 3.549 20 30 CHEDRP CC1(C#N)CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000449123295 1124651451 /nfs/dbraw/zinc/65/14/51/1124651451.db2.gz NSFDPLUWVGXIGU-UHFFFAOYSA-N 2 0 291.483 3.705 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449480772 1124755876 /nfs/dbraw/zinc/75/58/76/1124755876.db2.gz ZPDWINOLCCIGOB-DOTOQJQBSA-N 2 0 264.457 3.585 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449480773 1124756783 /nfs/dbraw/zinc/75/67/83/1124756783.db2.gz ZPDWINOLCCIGOB-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246096745 1131309658 /nfs/dbraw/zinc/30/96/58/1131309658.db2.gz WDKNRQFLPJUCDT-HZPDHXFCSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246102718 1131320956 /nfs/dbraw/zinc/32/09/56/1131320956.db2.gz WTIXZXBETBFQGA-JYJNAYRXSA-N 2 0 254.462 3.713 20 30 CHEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000530714329 1125173272 /nfs/dbraw/zinc/17/32/72/1125173272.db2.gz DVQVFHVYUJGCEL-RTBURBONSA-N 2 0 299.462 3.548 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001246129475 1131343976 /nfs/dbraw/zinc/34/39/76/1131343976.db2.gz FBIHHKGCFLEYBA-IAGOWNOFSA-N 2 0 296.499 3.626 20 30 CHEDRP CCCCCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000741248701 1129432508 /nfs/dbraw/zinc/43/25/08/1129432508.db2.gz BEVMEXNDQNQVBY-INIZCTEOSA-N 2 0 254.462 3.621 20 30 CHEDRP CCCCCCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000744423869 1129576903 /nfs/dbraw/zinc/57/69/03/1129576903.db2.gz PKTRBWKAVYSYQF-MRXNPFEDSA-N 2 0 254.462 3.621 20 30 CHEDRP C=CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140647 1129706021 /nfs/dbraw/zinc/70/60/21/1129706021.db2.gz LCEBLSFBSLICHO-REPLKXPHSA-N 2 0 284.447 3.690 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000651731209 1129746412 /nfs/dbraw/zinc/74/64/12/1129746412.db2.gz IWUHKYZYJHJCOG-DOTOQJQBSA-N 2 0 276.468 3.728 20 30 CHEDRP C=C(C)CC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902389208 1130005796 /nfs/dbraw/zinc/00/57/96/1130005796.db2.gz VYXJPCGMGHFFEY-MRXNPFEDSA-N 2 0 282.378 3.691 20 30 CHEDRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000903001208 1130097884 /nfs/dbraw/zinc/09/78/84/1130097884.db2.gz QVJXAAABXHZNOK-LJQANCHMSA-N 2 0 299.462 3.865 20 30 CHEDRP CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255963 1130728893 /nfs/dbraw/zinc/72/88/93/1130728893.db2.gz OMCNICNWVGPNJT-JYJNAYRXSA-N 2 0 252.446 3.549 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399384 1130738335 /nfs/dbraw/zinc/73/83/35/1130738335.db2.gz AWHNOLLCHACELK-ROUUACIJSA-N 2 0 296.474 3.927 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235397883 1130738541 /nfs/dbraw/zinc/73/85/41/1130738541.db2.gz RHAVWSMCQWOVMJ-IRXDYDNUSA-N 2 0 296.474 3.912 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235397881 1130738650 /nfs/dbraw/zinc/73/86/50/1130738650.db2.gz RHAVWSMCQWOVMJ-DLBZAZTESA-N 2 0 296.474 3.912 20 30 CHEDRP CCCCCCC[N@H+](CC)CC1(C)CC[NH2+]CC1 ZINC001235664225 1130763621 /nfs/dbraw/zinc/76/36/21/1130763621.db2.gz ZWIXQBRDEUTEHC-UHFFFAOYSA-N 2 0 254.462 3.668 20 30 CHEDRP CCCCCCC[N@H+](CC)CCC1CC[NH2+]CC1 ZINC001235664206 1130764335 /nfs/dbraw/zinc/76/43/35/1130764335.db2.gz ZLZRODXNYMHUKA-UHFFFAOYSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236372580 1130922161 /nfs/dbraw/zinc/92/21/61/1130922161.db2.gz QFNQJAMYZJBNDR-MRXNPFEDSA-N 2 0 264.457 3.587 20 30 CHEDRP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC001236432603 1130940692 /nfs/dbraw/zinc/94/06/92/1130940692.db2.gz BEDKXDLYQRVZKL-UHFFFAOYSA-N 2 0 284.447 3.653 20 30 CHEDRP C=CC[N@H+](CC1CC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC001236434306 1130941179 /nfs/dbraw/zinc/94/11/79/1130941179.db2.gz QHQFKELDHWMZBW-UHFFFAOYSA-N 2 0 276.468 3.587 20 30 CHEDRP C=CCCCC[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542342 1130969288 /nfs/dbraw/zinc/96/92/88/1130969288.db2.gz SUKLUAGMMNZRPP-QAQDUYKDSA-N 2 0 264.457 3.715 20 30 CHEDRP C#Cc1cccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236540991 1130969366 /nfs/dbraw/zinc/96/93/66/1130969366.db2.gz PRANOENMSJXRSE-MXVIHJGJSA-N 2 0 296.458 3.540 20 30 CHEDRP C=CCCCCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584514 1130981023 /nfs/dbraw/zinc/98/10/23/1130981023.db2.gz GIYDLZYHPAYISO-INIZCTEOSA-N 2 0 264.457 3.587 20 30 CHEDRP CC(C)(C)C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769691 1131004201 /nfs/dbraw/zinc/00/42/01/1131004201.db2.gz ZMKFJVIEQXEPEJ-IYARVYRRSA-N 2 0 299.462 3.676 20 30 CHEDRP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236821659 1131013873 /nfs/dbraw/zinc/01/38/73/1131013873.db2.gz WBFRMSSGNGDCTF-ULQDDVLXSA-N 2 0 264.457 3.572 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380208 1131092030 /nfs/dbraw/zinc/09/20/30/1131092030.db2.gz FZKSWQRWTQVONU-QZTJIDSGSA-N 2 0 278.484 3.977 20 30 CHEDRP C=CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985325 1131194637 /nfs/dbraw/zinc/19/46/37/1131194637.db2.gz IYTISYMRUIAFJR-HOTGVXAUSA-N 2 0 264.457 3.776 20 30 CHEDRP CCCCCCC[NH2+][C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246234284 1131419721 /nfs/dbraw/zinc/41/97/21/1131419721.db2.gz VDTAOOBNXWCRFY-ZSHCYNCHSA-N 2 0 254.462 3.856 20 30 CHEDRP CCCCCCCC[NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246241502 1131427228 /nfs/dbraw/zinc/42/72/28/1131427228.db2.gz MMZIQIOSPARJQA-JKSUJKDBSA-N 2 0 254.462 3.713 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246560217 1131622302 /nfs/dbraw/zinc/62/23/02/1131622302.db2.gz BQFMPHLGKQSIDP-XHSDSOJGSA-N 2 0 254.462 3.795 20 30 CHEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246629606 1131735281 /nfs/dbraw/zinc/73/52/81/1131735281.db2.gz GPAVWMKBXXCXPG-MRXNPFEDSA-N 2 0 266.473 3.811 20 30 CHEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001246794837 1131784395 /nfs/dbraw/zinc/78/43/95/1131784395.db2.gz HDLNOJKQZCWGMK-HZPDHXFCSA-N 2 0 254.462 3.796 20 30 CHEDRP CCCCCCC[C@H](C)[N@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246909711 1131809911 /nfs/dbraw/zinc/80/99/11/1131809911.db2.gz JXJPQFDVOQIRIA-JYJNAYRXSA-N 2 0 254.462 3.937 20 30 CHEDRP C=CC[N@@H+]([C@@H]1CC[NH2+][C@@H](CCCC)C1)C(C)(C)C ZINC001246921284 1131817748 /nfs/dbraw/zinc/81/77/48/1131817748.db2.gz PDNDSCIZNSZLRC-LSDHHAIUSA-N 2 0 252.446 3.584 20 30 CHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947364 1131827953 /nfs/dbraw/zinc/82/79/53/1131827953.db2.gz WXPWNODQDSFLAD-HZPDHXFCSA-N 2 0 272.452 3.888 20 30 CHEDRP C[NH+](C)CC[C@H]([NH2+]C1CCC(CC#N)CC1)c1ccccc1 ZINC001173325889 1132461702 /nfs/dbraw/zinc/46/17/02/1132461702.db2.gz PKQOOHRTCIWZKW-KVZIAJEVSA-N 2 0 299.462 3.741 20 30 CHEDRP CC1(C)C[C@@H]([NH2+]C2CCC(CC#N)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173329829 1132463223 /nfs/dbraw/zinc/46/32/23/1132463223.db2.gz OBIKDSXFCRODQS-AJTLQJAISA-N 2 0 291.483 3.592 20 30 CHEDRP CC1(C)C[C@H]([NH2+]C2CCC(CC#N)CC2)C[C@@](C)(C[NH3+])C1 ZINC001173329834 1132464126 /nfs/dbraw/zinc/46/41/26/1132464126.db2.gz OBIKDSXFCRODQS-UNGSAITNSA-N 2 0 291.483 3.592 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763390 1133482207 /nfs/dbraw/zinc/48/22/07/1133482207.db2.gz IMSVYLRLJCMUNT-INIZCTEOSA-N 2 0 252.446 3.716 20 30 CHEDRP CCCCCCC/C=C/CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205733973 1133606846 /nfs/dbraw/zinc/60/68/46/1133606846.db2.gz AJEUGRZWAAQVOH-XVJNWHFHSA-N 2 0 288.426 3.819 20 30 CHEDRP CCCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904516 1133628666 /nfs/dbraw/zinc/62/86/66/1133628666.db2.gz VRYXSPWPPPXQDA-HZPDHXFCSA-N 2 0 254.462 3.796 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296395 1133684926 /nfs/dbraw/zinc/68/49/26/1133684926.db2.gz SFMRSDBHUOJOMS-KRWDZBQOSA-N 2 0 266.473 3.964 20 30 CHEDRP C=CCC[N@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208105617 1133877466 /nfs/dbraw/zinc/87/74/66/1133877466.db2.gz AEDPRSKEVGMCKP-UHFFFAOYSA-N 2 0 286.463 3.797 20 30 CHEDRP CCCCCCC/C=C/CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001208124422 1133881206 /nfs/dbraw/zinc/88/12/06/1133881206.db2.gz QRBYCTUQTMPEKA-BBVFFXRHSA-N 2 0 278.484 3.931 20 30 CHEDRP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209163694 1133981942 /nfs/dbraw/zinc/98/19/42/1133981942.db2.gz HQCZHWQKZHCKID-FQEVSTJZSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209164329 1133982186 /nfs/dbraw/zinc/98/21/86/1133982186.db2.gz AWPRCYRMBUZWAF-WOJBJXKFSA-N 2 0 298.474 3.797 20 30 CHEDRP CCCCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596645 1135253858 /nfs/dbraw/zinc/25/38/58/1135253858.db2.gz ZIDOCOKSWIBABD-SFHVURJKSA-N 2 0 286.463 3.646 20 30 CHEDRP C=CCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624363 1135256737 /nfs/dbraw/zinc/25/67/37/1135256737.db2.gz YYRXGIKLHAORPF-HDICACEKSA-N 2 0 278.484 3.835 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366659099 328252901 /nfs/dbraw/zinc/25/29/01/328252901.db2.gz AHVHZNPZHAIFDU-QGZVFWFLSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422996636 330163516 /nfs/dbraw/zinc/16/35/16/330163516.db2.gz MNMJUELNZBZVSM-JCYILVPMSA-N 2 0 258.409 3.553 20 30 CHEDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423290633 330186877 /nfs/dbraw/zinc/18/68/77/330186877.db2.gz DVDNMLJLTKJQIZ-CHWSQXEVSA-N 2 0 297.377 3.568 20 30 CHEDRP C=CCC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000121195165 330397583 /nfs/dbraw/zinc/39/75/83/330397583.db2.gz STTVJHZHDSNHND-SFHVURJKSA-N 2 0 290.426 3.722 20 30 CHEDRP C=CCC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC000449601867 330938930 /nfs/dbraw/zinc/93/89/30/330938930.db2.gz BDDHQXRFASJVSS-UHFFFAOYSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCCCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000471610788 331513203 /nfs/dbraw/zinc/51/32/03/331513203.db2.gz NVBBXDIKSFUDLD-WMZOPIPTSA-N 2 0 278.484 3.975 20 30 CHEDRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000479606710 331740432 /nfs/dbraw/zinc/74/04/32/331740432.db2.gz ZSXIWBPGRVMGMU-UHFFFAOYSA-N 2 0 299.462 3.693 20 30 CHEDRP C=CCCCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000488467081 332012027 /nfs/dbraw/zinc/01/20/27/332012027.db2.gz QOSQBMLUCWKLLZ-CVEARBPZSA-N 2 0 252.446 3.537 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000568979435 334849250 /nfs/dbraw/zinc/84/92/50/334849250.db2.gz MPGJFACGZWIZQH-INIZCTEOSA-N 2 0 274.452 3.973 20 30 CHEDRP C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000573235143 334920041 /nfs/dbraw/zinc/92/00/41/334920041.db2.gz MAYBCYNEWZTZDA-IKGGRYGDSA-N 2 0 258.409 3.553 20 30 CHEDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181511516 1126856913 /nfs/dbraw/zinc/85/69/13/1126856913.db2.gz SOUAXIIHEQHHFR-IRXDYDNUSA-N 2 0 299.462 3.721 20 30 CHEDRP C=CCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485491155 1126919075 /nfs/dbraw/zinc/91/90/75/1126919075.db2.gz MNJGMTSPHOXRKW-UHFFFAOYSA-N 2 0 298.474 3.941 20 30 CHEDRP C=CCCCCCCC[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235937728 1130811058 /nfs/dbraw/zinc/81/10/58/1130811058.db2.gz PXBNTCXHLKMGDN-UHFFFAOYSA-N 2 0 296.499 3.604 20 30 CHEDRP C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000590257306 1127253099 /nfs/dbraw/zinc/25/30/99/1127253099.db2.gz DCDRYSPYTDLRRN-QFBILLFUSA-N 2 0 299.462 3.741 20 30 CHEDRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360819036 1127512739 /nfs/dbraw/zinc/51/27/39/1127512739.db2.gz GTNUPSLSYNQFIE-LJQANCHMSA-N 2 0 299.462 3.647 20 30 CHEDRP C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C[NH+](C)C)c1 ZINC000926426845 1128172059 /nfs/dbraw/zinc/17/20/59/1128172059.db2.gz QRDPFIZUWNNRPX-OAHLLOKOSA-N 2 0 287.451 3.729 20 30 CHEDRP C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926709342 1128189006 /nfs/dbraw/zinc/18/90/06/1128189006.db2.gz AGXGRONWISWEEY-MRXNPFEDSA-N 2 0 299.462 3.873 20 30 CHEDRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(C#N)c1 ZINC000927039949 1128210994 /nfs/dbraw/zinc/21/09/94/1128210994.db2.gz YIQKCFVPCJVMGH-MNNVXMFVSA-N 2 0 297.446 3.616 20 30 CHEDRP CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258049447 1128688419 /nfs/dbraw/zinc/68/84/19/1128688419.db2.gz HYLMCGDSZMMMQS-SJORKVTESA-N 2 0 266.473 3.763 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562641 1117872468 /nfs/dbraw/zinc/87/24/68/1117872468.db2.gz YGAIGXJPQZQVSA-PMPSAXMXSA-N 2 0 264.457 3.584 20 30 CHEDRP C=CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000471584529 1118466848 /nfs/dbraw/zinc/46/68/48/1118466848.db2.gz HKJIZGRHUDLTHJ-HSALFYBXSA-N 2 0 298.474 3.843 20 30 CHEDRP C=CCCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000582431280 1119079933 /nfs/dbraw/zinc/07/99/33/1119079933.db2.gz YWDVCSOHGOHYHI-GVDBMIGSSA-N 2 0 264.457 3.633 20 30 CHEDRP C=CCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000584067746 1119470422 /nfs/dbraw/zinc/47/04/22/1119470422.db2.gz GAMHHFOJCBWMQP-UHFFFAOYSA-N 2 0 286.463 3.985 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000658029812 1119666832 /nfs/dbraw/zinc/66/68/32/1119666832.db2.gz AXKSAZRBAOJYQJ-NVXWUHKLSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000658029817 1119666877 /nfs/dbraw/zinc/66/68/77/1119666877.db2.gz AXKSAZRBAOJYQJ-WBVHZDCISA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000658115360 1119684758 /nfs/dbraw/zinc/68/47/58/1119684758.db2.gz UWSFTKHQCYLGRV-UHFFFAOYSA-N 2 0 272.436 3.595 20 30 CHEDRP C=CCCCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472576937 1119968681 /nfs/dbraw/zinc/96/86/81/1119968681.db2.gz BFZFMAQOOHIBKI-INIZCTEOSA-N 2 0 252.446 3.539 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC000765836977 1120117557 /nfs/dbraw/zinc/11/75/57/1120117557.db2.gz RLBHKFUNRCJHCD-LJQANCHMSA-N 2 0 284.447 3.612 20 30 CHEDRP CCC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000472763536 1120166037 /nfs/dbraw/zinc/16/60/37/1120166037.db2.gz ATIXTTOYCYCGHC-LJQANCHMSA-N 2 0 299.462 3.645 20 30 CHEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543462081 1120528240 /nfs/dbraw/zinc/52/82/40/1120528240.db2.gz WJHPDZCPBQNOAT-YESZJQIVSA-N 2 0 278.484 3.974 20 30 CHEDRP CCCCCCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759975064 1121180314 /nfs/dbraw/zinc/18/03/14/1121180314.db2.gz FZEHSQCCBZFIBH-INIZCTEOSA-N 2 0 254.462 3.763 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512661421 1121517073 /nfs/dbraw/zinc/51/70/73/1121517073.db2.gz SCWCSYFAGCYADZ-MTFMMBMASA-N 2 0 298.474 3.841 20 30 CHEDRP C=C(C)CN1CCC([NH2+][C@H](CC)C[C@@H](C)CC)CC1 ZINC000153016726 1129016468 /nfs/dbraw/zinc/01/64/68/1129016468.db2.gz JZQZCNNWUKJBBG-JKSUJKDBSA-N 2 0 266.473 3.831 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542064 1122189980 /nfs/dbraw/zinc/18/99/80/1122189980.db2.gz QLLIKGJWCNJDOU-QGZVFWFLSA-N 2 0 266.473 3.964 20 30 CHEDRP C=CCCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205904749 1123069563 /nfs/dbraw/zinc/06/95/63/1123069563.db2.gz XELFPXIVIQARCN-HZPDHXFCSA-N 2 0 252.446 3.572 20 30 CHEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCN1C1CCCCCC1 ZINC000865805384 1124015559 /nfs/dbraw/zinc/01/55/59/1124015559.db2.gz YTWDNZAOCIKMRF-KRWDZBQOSA-N 2 0 291.483 3.703 20 30 CHEDRP C=CCC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000635012192 1129170577 /nfs/dbraw/zinc/17/05/77/1129170577.db2.gz RUEWUZVTYNCFTE-HUUCEWRRSA-N 2 0 276.424 3.655 20 30 CHEDRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000449129813 1124653183 /nfs/dbraw/zinc/65/31/83/1124653183.db2.gz DPKHQPHWOPPJBD-UHFFFAOYSA-N 2 0 293.499 3.949 20 30 CHEDRP CCCCCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C[C@H]1C ZINC001246109318 1131329087 /nfs/dbraw/zinc/32/90/87/1131329087.db2.gz AUYCTPCRRDJUDB-PMPSAXMXSA-N 2 0 254.462 3.713 20 30 CHEDRP C=CC[C@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000878574329 1125163240 /nfs/dbraw/zinc/16/32/40/1125163240.db2.gz QBNNWXZQFNULNS-HOCLYGCPSA-N 2 0 292.492 3.775 20 30 CHEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000530714363 1125173182 /nfs/dbraw/zinc/17/31/82/1125173182.db2.gz QBSBZRNIABRXTP-OALUTQOASA-N 2 0 299.462 3.548 20 30 CHEDRP C=CCC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883227471 1125380639 /nfs/dbraw/zinc/38/06/39/1125380639.db2.gz RHJRKJMNINRNKJ-XUBOLADHSA-N 2 0 298.474 3.779 20 30 CHEDRP C=C[C@H](C)[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638750460 1129267969 /nfs/dbraw/zinc/26/79/69/1129267969.db2.gz ULOPABPTQPXRSV-ZVZYQTTQSA-N 2 0 270.420 3.519 20 30 CHEDRP C=CCC[C@H](C)[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001258720985 1129549558 /nfs/dbraw/zinc/54/95/58/1129549558.db2.gz KJVWKQLBNUROMV-AWEZNQCLSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CCC[C@@H](C)[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001258720986 1129549610 /nfs/dbraw/zinc/54/96/10/1129549610.db2.gz KJVWKQLBNUROMV-CQSZACIVSA-N 2 0 252.446 3.584 20 30 CHEDRP C=CCCCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000380818360 1129832232 /nfs/dbraw/zinc/83/22/32/1129832232.db2.gz WPCJEFCJKPRQLN-UHFFFAOYSA-N 2 0 252.446 3.585 20 30 CHEDRP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1 ZINC000902728608 1130046720 /nfs/dbraw/zinc/04/67/20/1130046720.db2.gz XTMVDRLLJAGSPI-KRWDZBQOSA-N 2 0 299.462 3.908 20 30 CHEDRP CCCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902779663 1130055769 /nfs/dbraw/zinc/05/57/69/1130055769.db2.gz YUXZIMMFJFHURJ-LJQANCHMSA-N 2 0 299.462 3.863 20 30 CHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195978 1130127803 /nfs/dbraw/zinc/12/78/03/1130127803.db2.gz DSJXDOBWUKHKGF-DBKFYXDTSA-N 2 0 288.479 3.869 20 30 CHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(C=C2CC[NH2+]CC2)cc1 ZINC001240879634 1130500272 /nfs/dbraw/zinc/50/02/72/1130500272.db2.gz VKRJUGMGDBQTKV-LJQANCHMSA-N 2 0 282.431 3.776 20 30 CHEDRP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCC)CC1 ZINC000793521176 1130562097 /nfs/dbraw/zinc/56/20/97/1130562097.db2.gz VPRJUSKESFNUBD-MRXNPFEDSA-N 2 0 266.473 3.975 20 30 CHEDRP C=CCC[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235702505 1130772091 /nfs/dbraw/zinc/77/20/91/1130772091.db2.gz KZBKJGFOBNEPFS-GOSISDBHSA-N 2 0 272.436 3.597 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC(C)([NH3+])CC1 ZINC001235749639 1130775981 /nfs/dbraw/zinc/77/59/81/1130775981.db2.gz UATGCULIVACIFK-MDZDMXLPSA-N 2 0 252.446 3.716 20 30 CHEDRP C=CCCCCCC[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236213373 1130891720 /nfs/dbraw/zinc/89/17/20/1130891720.db2.gz QQEXKWPYMZBTMH-UHFFFAOYSA-N 2 0 252.446 3.585 20 30 CHEDRP CCCCCCCCC[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236407145 1130931114 /nfs/dbraw/zinc/93/11/14/1130931114.db2.gz BZLHGXHVPSOLNL-MRXNPFEDSA-N 2 0 254.462 3.668 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236604842 1130983168 /nfs/dbraw/zinc/98/31/68/1130983168.db2.gz PQFYVNKEGKBYES-QGZVFWFLSA-N 2 0 266.473 3.964 20 30 CHEDRP C=C(C)[C@@H]1CC=C(C[N@H+](C2CCC2)C2CC[NH2+]CC2)CC1 ZINC001236633340 1130987766 /nfs/dbraw/zinc/98/77/66/1130987766.db2.gz GDQSHVGNDFKLEG-QGZVFWFLSA-N 2 0 288.479 3.896 20 30 CHEDRP C#CCCC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755848 1131004531 /nfs/dbraw/zinc/00/45/31/1131004531.db2.gz RFGWYWGAYGJRIW-IYARVYRRSA-N 2 0 276.468 3.552 20 30 CHEDRP C=CCCCCCCC[NH+]1CCC2(CC[C@H]2[NH3+])CC1 ZINC001237356104 1131091315 /nfs/dbraw/zinc/09/13/15/1131091315.db2.gz GVKROTVXIMKFFS-MRXNPFEDSA-N 2 0 264.457 3.716 20 30 CHEDRP C=CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000817893254 1131186695 /nfs/dbraw/zinc/18/66/95/1131186695.db2.gz DAFZCKKIMZZJKW-SZMVWBNQSA-N 2 0 287.451 3.599 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC001246231614 1131418484 /nfs/dbraw/zinc/41/84/84/1131418484.db2.gz NMHLSQLKBQPTHH-HZPDHXFCSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[C@@H](CC(C)C)[NH2+]CCO[C@@H]1CC[NH2+]C1 ZINC001246365832 1131488733 /nfs/dbraw/zinc/48/87/33/1131488733.db2.gz GVBHCQKBWLZHSF-ZWKOTPCHSA-N 2 0 298.515 3.730 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]CC1(CCOC)CC[NH2+]CC1 ZINC001246372563 1131490416 /nfs/dbraw/zinc/49/04/16/1131490416.db2.gz SRYHMOLGHZQHAW-QGZVFWFLSA-N 2 0 298.515 3.731 20 30 CHEDRP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001202938335 1131609764 /nfs/dbraw/zinc/60/97/64/1131609764.db2.gz GPVHSCHGCWDHJG-NBYUQASBSA-N 2 0 298.474 3.666 20 30 CHEDRP C=CCC[C@@H](C)[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246613175 1131718360 /nfs/dbraw/zinc/71/83/60/1131718360.db2.gz XDROTMYIEFRWAU-IAGOWNOFSA-N 2 0 264.457 3.587 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001246692380 1131782381 /nfs/dbraw/zinc/78/23/81/1131782381.db2.gz NSDPTDGJNRWNFS-ARFHVFGLSA-N 2 0 284.463 3.744 20 30 CHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC001171339450 1131874023 /nfs/dbraw/zinc/87/40/23/1131874023.db2.gz MDPAJMUPZGRABO-MOPGFXCFSA-N 2 0 299.462 3.564 20 30 CHEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172351815 1132182830 /nfs/dbraw/zinc/18/28/30/1132182830.db2.gz VWHAWUYDEFCUJY-JYJNAYRXSA-N 2 0 254.462 3.985 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486562 1132231210 /nfs/dbraw/zinc/23/12/10/1132231210.db2.gz GFHGXPGLIMMDGJ-BZUAXINKSA-N 2 0 279.472 3.687 20 30 CHEDRP CC(C)(C)C[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173333231 1132465023 /nfs/dbraw/zinc/46/50/23/1132465023.db2.gz FHNYZSRPVLIUOV-UHFFFAOYSA-N 2 0 291.483 3.559 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC(C[NH3+])CC1 ZINC001205026556 1133518027 /nfs/dbraw/zinc/51/80/27/1133518027.db2.gz RTMOJWLTFWEMRI-CMDGGOBGSA-N 2 0 252.446 3.574 20 30 CHEDRP C[N@@H+]1CCC[C@H](CN(CCC#N)C2CCCCCCC2)C1 ZINC001208609953 1133918425 /nfs/dbraw/zinc/91/84/25/1133918425.db2.gz XPQQZKNHTZVUSV-KRWDZBQOSA-N 2 0 291.483 3.657 20 30 CHEDRP C[N@@H+]1CCC[C@@H](CN(CCC#N)C2CCCCCCC2)C1 ZINC001208609963 1133919002 /nfs/dbraw/zinc/91/90/02/1133919002.db2.gz XPQQZKNHTZVUSV-QGZVFWFLSA-N 2 0 291.483 3.657 20 30 CHEDRP C=CCCCCCCCN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209439273 1134020580 /nfs/dbraw/zinc/02/05/80/1134020580.db2.gz LUESVEGHLFPWCG-KRWDZBQOSA-N 2 0 264.457 3.683 20 30 CHEDRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1 ZINC000020143234 262231223 /nfs/dbraw/zinc/23/12/23/262231223.db2.gz GVCYYKZEIFXYST-ZDUSSCGKSA-N 2 0 285.435 3.518 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC(C)(C)C#N)C[C@@H]1C ZINC000336827826 262398129 /nfs/dbraw/zinc/39/81/29/262398129.db2.gz KCGGQIPQQILJJY-HOTGVXAUSA-N 2 0 279.472 3.511 20 30 CHEDRP N#CCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340450571 263155056 /nfs/dbraw/zinc/15/50/56/263155056.db2.gz NNOGPOFNBACNFW-FHWLQOOXSA-N 2 0 297.446 3.638 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000341931396 263368780 /nfs/dbraw/zinc/36/87/80/263368780.db2.gz OPKKNOCOXIZXHB-GOSISDBHSA-N 2 0 272.436 3.769 20 30 CHEDRP CC(C)[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCCCC1 ZINC000343283470 264351165 /nfs/dbraw/zinc/35/11/65/264351165.db2.gz KCVPBBMGCZJLHI-KRWDZBQOSA-N 2 0 293.499 3.807 20 30 CHEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCC)CC1)c1ccco1 ZINC000561314156 327385029 /nfs/dbraw/zinc/38/50/29/327385029.db2.gz DQVMGCZGRVXXTF-KRWDZBQOSA-N 2 0 290.451 3.999 20 30 CHEDRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000423129784 330171696 /nfs/dbraw/zinc/17/16/96/330171696.db2.gz MGEGVZXLGWYZDN-DOTOQJQBSA-N 2 0 273.424 3.529 20 30 CHEDRP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423293896 330187909 /nfs/dbraw/zinc/18/79/09/330187909.db2.gz SKPSORVAUJUXRL-IFXJQAMLSA-N 2 0 293.414 3.819 20 30 CHEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000423428817 330198520 /nfs/dbraw/zinc/19/85/20/330198520.db2.gz RVFFGEULQVRBAO-BZUAXINKSA-N 2 0 276.424 3.642 20 30 CHEDRP C=CCC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000423387448 330199813 /nfs/dbraw/zinc/19/98/13/330199813.db2.gz MUYLNCPKYIJVAE-QGZVFWFLSA-N 2 0 282.387 3.680 20 30 CHEDRP C=C(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000536893248 330362379 /nfs/dbraw/zinc/36/23/79/330362379.db2.gz LIOHQWKUKWIUHA-SJORKVTESA-N 2 0 264.457 3.539 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449297346 330912640 /nfs/dbraw/zinc/91/26/40/330912640.db2.gz FXQKEPBAFKBJGK-GTPINHCMSA-N 2 0 264.457 3.728 20 30 CHEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467405615 331417862 /nfs/dbraw/zinc/41/78/62/331417862.db2.gz QRBXCERMPZTZCL-DOTOQJQBSA-N 2 0 290.451 3.632 20 30 CHEDRP C=CCCCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000488173533 331992922 /nfs/dbraw/zinc/99/29/22/331992922.db2.gz YDTGYVRGILAKRK-UHFFFAOYSA-N 2 0 266.473 3.787 20 30 CHEDRP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549338 333252927 /nfs/dbraw/zinc/25/29/27/333252927.db2.gz QZZHWEWDMIJGNB-DLBZAZTESA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000089512945 334346125 /nfs/dbraw/zinc/34/61/25/334346125.db2.gz YEZXYKNGFJEEPQ-INIZCTEOSA-N 2 0 264.457 3.584 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246560192 1131621995 /nfs/dbraw/zinc/62/19/95/1131621995.db2.gz BQFMPHLGKQSIDP-ARFHVFGLSA-N 2 0 254.462 3.795 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172351816 1132183196 /nfs/dbraw/zinc/18/31/96/1132183196.db2.gz VWHAWUYDEFCUJY-XHSDSOJGSA-N 2 0 254.462 3.985 20 30 CHEDRP CC[NH+](CC)CCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000338236973 1126726305 /nfs/dbraw/zinc/72/63/05/1126726305.db2.gz QCKHGMYBDSLPSB-INIZCTEOSA-N 2 0 287.451 3.673 20 30 CHEDRP C=CCN1CCC([NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC000482254726 1126748219 /nfs/dbraw/zinc/74/82/19/1126748219.db2.gz IXZUIHNOKRVZJD-QGZVFWFLSA-N 2 0 278.484 3.999 20 30 CHEDRP C=CCCCCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193511 1130723343 /nfs/dbraw/zinc/72/33/43/1130723343.db2.gz OBPQXLRCMYMLCS-QZTJIDSGSA-N 2 0 278.484 3.835 20 30 CHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000595053156 1127451110 /nfs/dbraw/zinc/45/11/10/1127451110.db2.gz WEIHYPSZXYRVMX-HZPDHXFCSA-N 2 0 296.524 3.538 20 30 CHEDRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838713 1127514305 /nfs/dbraw/zinc/51/43/05/1127514305.db2.gz DLWTUSFGWSILSW-SFHVURJKSA-N 2 0 299.462 3.503 20 30 CHEDRP C[C@H](CCC#N)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000602581705 1127597046 /nfs/dbraw/zinc/59/70/46/1127597046.db2.gz KJLMDXKQENLWJU-WWDZGPRUSA-N 2 0 291.483 3.559 20 30 CHEDRP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccc(C#N)cc1 ZINC000593717126 1127664956 /nfs/dbraw/zinc/66/49/56/1127664956.db2.gz YAEGAOBKDBXIDF-SFHVURJKSA-N 2 0 287.451 3.577 20 30 CHEDRP CN(CC[C@H]1CCCC[N@@H+]1C)CCC1(C#N)CCCCC1 ZINC000411291054 1127851677 /nfs/dbraw/zinc/85/16/77/1127851677.db2.gz IKJPYAQJNKAREF-QGZVFWFLSA-N 2 0 291.483 3.657 20 30 CHEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000925679162 1128136915 /nfs/dbraw/zinc/13/69/15/1128136915.db2.gz YQZJYVYEPPDTRU-KURKYZTESA-N 2 0 299.462 3.917 20 30 CHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930001335 1128297552 /nfs/dbraw/zinc/29/75/52/1128297552.db2.gz UVSOAEOMNCKMSD-IRXDYDNUSA-N 2 0 291.483 3.513 20 30 CHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000671242858 1117782593 /nfs/dbraw/zinc/78/25/93/1117782593.db2.gz ONBVDQVKSDBTHS-HDICACEKSA-N 2 0 292.426 3.691 20 30 CHEDRP C=CCCCCC[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001209433507 1118055071 /nfs/dbraw/zinc/05/50/71/1118055071.db2.gz YYTSXRQRMVYVOK-UHFFFAOYSA-N 2 0 252.446 3.537 20 30 CHEDRP CCCCCCCCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209011 1118157397 /nfs/dbraw/zinc/15/73/97/1118157397.db2.gz HKLJRRSBUMZZIF-GOSISDBHSA-N 2 0 298.515 3.693 20 30 CHEDRP C=CCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000338566433 1118218965 /nfs/dbraw/zinc/21/89/65/1118218965.db2.gz IJHZSTGGJNZYLK-UHFFFAOYSA-N 2 0 284.447 3.551 20 30 CHEDRP C=CCN1CCC([NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663316018 1118904288 /nfs/dbraw/zinc/90/42/88/1118904288.db2.gz RYSOYZRIJLWCCH-UHFFFAOYSA-N 2 0 272.436 3.550 20 30 CHEDRP C=CCC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000245907040 1119387030 /nfs/dbraw/zinc/38/70/30/1119387030.db2.gz CMBLAMXNRPRLOW-SJLPKXTDSA-N 2 0 278.484 3.975 20 30 CHEDRP CCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250830956 1119502146 /nfs/dbraw/zinc/50/21/46/1119502146.db2.gz RCGZYVRFJIZZKB-IRXDYDNUSA-N 2 0 266.473 3.811 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353726 1119730373 /nfs/dbraw/zinc/73/03/73/1119730373.db2.gz QLWGDWMVXMGQDT-INIZCTEOSA-N 2 0 278.484 3.833 20 30 CHEDRP C#Cc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC001178528489 1121793643 /nfs/dbraw/zinc/79/36/43/1121793643.db2.gz LLLGZHXNNWWHRI-UHFFFAOYSA-N 2 0 298.474 3.802 20 30 CHEDRP C=CCC[C@H](CC)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001180811547 1122018562 /nfs/dbraw/zinc/01/85/62/1122018562.db2.gz SCRDUEHEKZXQLC-HOTGVXAUSA-N 2 0 252.446 3.585 20 30 CHEDRP C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000467405621 1122898723 /nfs/dbraw/zinc/89/87/23/1122898723.db2.gz QRBXCERMPZTZCL-WBVHZDCISA-N 2 0 290.451 3.632 20 30 CHEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000467405836 1122898859 /nfs/dbraw/zinc/89/88/59/1122898859.db2.gz HSMOWZDOIWGUEZ-XYJFISCASA-N 2 0 278.484 3.974 20 30 CHEDRP CCCCCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001201826036 1123153237 /nfs/dbraw/zinc/15/32/37/1123153237.db2.gz LEQSCESQKDJCBF-UHFFFAOYSA-N 2 0 254.462 3.621 20 30 CHEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011313 1123270655 /nfs/dbraw/zinc/27/06/55/1123270655.db2.gz NOHWOBJWQJTSPI-ALXJQNPVSA-N 2 0 272.436 3.594 20 30 CHEDRP C=CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168015545 1123379342 /nfs/dbraw/zinc/37/93/42/1123379342.db2.gz RKLVNJLFKVMDQD-ALXJQNPVSA-N 2 0 272.436 3.594 20 30 CHEDRP C=CCCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168020108 1123413908 /nfs/dbraw/zinc/41/39/08/1123413908.db2.gz KMFGYOQOKDGJCY-IRXDYDNUSA-N 2 0 286.463 3.984 20 30 CHEDRP C=CC(C)(C)C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000453302758 1123570812 /nfs/dbraw/zinc/57/08/12/1123570812.db2.gz AVGVFZMRAXAJIB-IRXDYDNUSA-N 2 0 272.436 3.624 20 30 CHEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000449130233 1124652808 /nfs/dbraw/zinc/65/28/08/1124652808.db2.gz GBMHKXKPDSUAAJ-IRXDYDNUSA-N 2 0 266.473 3.831 20 30 CHEDRP C=C(C)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449471326 1124751738 /nfs/dbraw/zinc/75/17/38/1124751738.db2.gz CBVATTFHMOUHLR-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CCCCC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568995 1125280768 /nfs/dbraw/zinc/28/07/68/1125280768.db2.gz GIAZIZMNSCUFMP-QGZVFWFLSA-N 2 0 269.392 3.570 20 30 CHEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343810 1129571827 /nfs/dbraw/zinc/57/18/27/1129571827.db2.gz CNELVDGTJULOPW-RWQQGDIJSA-N 2 0 286.463 3.522 20 30 CHEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(CC2CCCCC2)C1 ZINC001258723558 1129580406 /nfs/dbraw/zinc/58/04/06/1129580406.db2.gz YCHAJJOQJGIUTO-RDJZCZTQSA-N 2 0 264.457 3.585 20 30 CHEDRP C=CC[N@H+](CCCC1CC[NH2+]CC1)Cc1cccs1 ZINC000647872818 1129586394 /nfs/dbraw/zinc/58/63/94/1129586394.db2.gz XUKRLJRCFZRBNF-UHFFFAOYSA-N 2 0 278.465 3.516 20 30 CHEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246199384 1131396346 /nfs/dbraw/zinc/39/63/46/1131396346.db2.gz WDKNRQFLPJUCDT-JKSUJKDBSA-N 2 0 254.462 3.715 20 30 CHEDRP CCCCCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746670441 1129978927 /nfs/dbraw/zinc/97/89/27/1129978927.db2.gz ZYIYGKJXBHXKMW-QGZVFWFLSA-N 2 0 266.473 3.621 20 30 CHEDRP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246223000 1131412081 /nfs/dbraw/zinc/41/20/81/1131412081.db2.gz UFJKBHLCHQDHLK-WCXIOVBPSA-N 2 0 266.473 3.713 20 30 CHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239808586 1130117125 /nfs/dbraw/zinc/11/71/25/1130117125.db2.gz FOGHONQJXIPIPM-LJQANCHMSA-N 2 0 293.414 3.530 20 30 CHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195979 1130127953 /nfs/dbraw/zinc/12/79/53/1130127953.db2.gz DSJXDOBWUKHKGF-HUUCDWIBSA-N 2 0 288.479 3.869 20 30 CHEDRP C=CCCCCCCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093019 1130710303 /nfs/dbraw/zinc/71/03/03/1130710303.db2.gz NSCRXNRPKJTCRU-UHFFFAOYSA-N 2 0 278.484 3.979 20 30 CHEDRP C=CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365723 1130737179 /nfs/dbraw/zinc/73/71/79/1130737179.db2.gz PCTLJKYBYUYGKT-VQTJNVASSA-N 2 0 298.474 3.596 20 30 CHEDRP CCCCCCCCC[N@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235393457 1130738865 /nfs/dbraw/zinc/73/88/65/1130738865.db2.gz AHEKSLZCTYKROB-CVEARBPZSA-N 2 0 284.463 3.746 20 30 CHEDRP N#CCC[N@@H+](CCCCCC[NH3+])C1CCCCCCC1 ZINC001235663909 1130763085 /nfs/dbraw/zinc/76/30/85/1130763085.db2.gz NUIFDOPERIJUIE-UHFFFAOYSA-N 2 0 279.472 3.834 20 30 CHEDRP C=CCCCCCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235673542 1130764195 /nfs/dbraw/zinc/76/41/95/1130764195.db2.gz NLPMZRHBDUUDAA-KRWDZBQOSA-N 2 0 266.473 3.964 20 30 CHEDRP CCCCCCC/C=C/C[NH+]1CCC(C[NH2+]C)CC1 ZINC001235677321 1130765658 /nfs/dbraw/zinc/76/56/58/1130765658.db2.gz BRSZKPXPKQABHO-MDZDMXLPSA-N 2 0 266.473 3.835 20 30 CHEDRP C=CCCCCCCCC[NH+]1CCC([NH2+]C)CC1 ZINC001235788657 1130779763 /nfs/dbraw/zinc/77/97/63/1130779763.db2.gz KMTBUUPFGOPLJP-UHFFFAOYSA-N 2 0 252.446 3.587 20 30 CHEDRP C=CCCCCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552510 1130974558 /nfs/dbraw/zinc/97/45/58/1130974558.db2.gz WMERHBARNGQJCD-QAQDUYKDSA-N 2 0 266.473 3.961 20 30 CHEDRP C=CCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741330 1131003327 /nfs/dbraw/zinc/00/33/27/1131003327.db2.gz FNMJMFNKXUYPBR-IYARVYRRSA-N 2 0 290.426 3.864 20 30 CHEDRP C#Cc1cccc(C[N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236790956 1131007117 /nfs/dbraw/zinc/00/71/17/1131007117.db2.gz NLEGSWVUIVJIIG-KESTWPANSA-N 2 0 298.474 3.928 20 30 CHEDRP CCCCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227468 1131701974 /nfs/dbraw/zinc/70/19/74/1131701974.db2.gz RRTQREVVJLLCNO-RCCFBDPRSA-N 2 0 296.499 3.708 20 30 CHEDRP CCCCCCCC[C@H](CC)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246646837 1131774622 /nfs/dbraw/zinc/77/46/22/1131774622.db2.gz XPXCSRNGMWADNI-YESZJQIVSA-N 2 0 266.473 3.952 20 30 CHEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001246694455 1131780907 /nfs/dbraw/zinc/78/09/07/1131780907.db2.gz RIXYBKSWYIPOAU-YESZJQIVSA-N 2 0 284.463 3.759 20 30 CHEDRP C#C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001171571765 1132059018 /nfs/dbraw/zinc/05/90/18/1132059018.db2.gz BDBZQZQKEPYBMH-GOSISDBHSA-N 2 0 296.458 3.518 20 30 CHEDRP CCCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172249517 1132151681 /nfs/dbraw/zinc/15/16/81/1132151681.db2.gz MKGROPBPWIMDES-QGZVFWFLSA-N 2 0 298.515 3.826 20 30 CHEDRP C[C@H](CCCC#N)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001172500375 1132250024 /nfs/dbraw/zinc/25/00/24/1132250024.db2.gz NAKJASUUJJRXGJ-IEBWSBKVSA-N 2 0 299.462 3.523 20 30 CHEDRP CCCCCCCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000842478270 1132432746 /nfs/dbraw/zinc/43/27/46/1132432746.db2.gz GMACBQVBRHAEQU-QZTJIDSGSA-N 2 0 296.499 3.565 20 30 CHEDRP CC[NH+](CC)C1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331583 1132463505 /nfs/dbraw/zinc/46/35/05/1132463505.db2.gz DNIIJBPCCHFUGS-UHFFFAOYSA-N 2 0 291.483 3.701 20 30 CHEDRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173590258 1132496656 /nfs/dbraw/zinc/49/66/56/1132496656.db2.gz BEFYFPNCUYUOAE-IVMQYODDSA-N 2 0 299.462 3.556 20 30 CHEDRP C=CCCCCCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206581020 1133722551 /nfs/dbraw/zinc/72/25/51/1133722551.db2.gz HGTDRWHMZYJIBM-QGZVFWFLSA-N 2 0 266.473 3.975 20 30 CHEDRP CCCCCCCC[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222447407 1135243444 /nfs/dbraw/zinc/24/34/44/1135243444.db2.gz VMILZXZQPQWZEF-UHFFFAOYSA-N 2 0 266.473 3.813 20 30 CHEDRP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000341948611 263367848 /nfs/dbraw/zinc/36/78/48/263367848.db2.gz VDDVTIFANFZAED-ROUUACIJSA-N 2 0 272.436 3.768 20 30 CHEDRP C=CC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000272883049 330093447 /nfs/dbraw/zinc/09/34/47/330093447.db2.gz NTHMWTZQLDCQMQ-JZXOWHBKSA-N 2 0 272.436 3.594 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422996637 330163552 /nfs/dbraw/zinc/16/35/52/330163552.db2.gz MNMJUELNZBZVSM-OFLPRAFFSA-N 2 0 258.409 3.553 20 30 CHEDRP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423000569 330163774 /nfs/dbraw/zinc/16/37/74/330163774.db2.gz VOJSTJWFWVSABW-UJJTZGENSA-N 2 0 270.420 3.567 20 30 CHEDRP C=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000423034654 330166423 /nfs/dbraw/zinc/16/64/23/330166423.db2.gz XVOQDJGUCWSKAJ-IPMKNSEASA-N 2 0 284.447 3.600 20 30 CHEDRP C=CCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549354 333252954 /nfs/dbraw/zinc/25/29/54/333252954.db2.gz QZZHWEWDMIJGNB-IAGOWNOFSA-N 2 0 278.484 3.975 20 30 CHEDRP C=CCCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548159022 334143805 /nfs/dbraw/zinc/14/38/05/334143805.db2.gz PBEFKEXSDJJJDP-PKOBYXMFSA-N 2 0 286.463 3.843 20 30 CHEDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019914943 520637171 /nfs/dbraw/zinc/63/71/71/520637171.db2.gz DHTJGZHEAHXZCR-HOTGVXAUSA-N 2 0 287.451 3.719 20 30 CHEDRP