smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCCCCn1cccn1)Cc1ccc(Cl)cc1 ZINC000104662114 1123819074 /nfs/dbraw/zinc/81/90/74/1123819074.db2.gz NHUSGZVEULRWFT-UHFFFAOYSA-N 1 1 291.826 3.839 10 0 CHAEMO Cc1cc(C[N@@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)on1 ZINC000191685303 1125327480 /nfs/dbraw/zinc/32/74/80/1125327480.db2.gz ZFKFOMRJTBCNDS-GFCCVEGCSA-N 1 1 292.329 3.641 10 0 CHAEMO Cc1cc(C[N@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)on1 ZINC000191685303 1125327483 /nfs/dbraw/zinc/32/74/83/1125327483.db2.gz ZFKFOMRJTBCNDS-GFCCVEGCSA-N 1 1 292.329 3.641 10 0 CHAEMO Cc1ccc(Nc2[nH+]cc(N)cc2C)cc1Br ZINC000082586892 178123816 /nfs/dbraw/zinc/12/38/16/178123816.db2.gz HQFVPOYFDNLAHC-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171526545 335069054 /nfs/dbraw/zinc/06/90/54/335069054.db2.gz WSGXRPJCVHNCDK-SWLSCSKDSA-N 1 1 298.352 3.546 10 0 CHAEMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3 ZINC000005833984 170145562 /nfs/dbraw/zinc/14/55/62/170145562.db2.gz WZJSIHGOLMMBAL-MRXNPFEDSA-N 1 1 279.383 3.925 10 0 in-vivo CHAEMO Cc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000020129316 171016837 /nfs/dbraw/zinc/01/68/37/171016837.db2.gz ZMXCYJBMIORERI-APWZRJJASA-N 1 1 282.431 3.949 10 0 CHAEMO C[N@H+](CCc1ccccc1)[C@H](CN)c1ccc(Cl)cc1 ZINC000020226037 171089784 /nfs/dbraw/zinc/08/97/84/171089784.db2.gz BCTNKSJXLKTZKX-QGZVFWFLSA-N 1 1 288.822 3.514 10 0 CHAEMO C[N@@H+](CCc1ccccc1)[C@H](CN)c1ccc(Cl)cc1 ZINC000020226037 171089786 /nfs/dbraw/zinc/08/97/86/171089786.db2.gz BCTNKSJXLKTZKX-QGZVFWFLSA-N 1 1 288.822 3.514 10 0 CHAEMO CCc1ccc([C@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225735 171089816 /nfs/dbraw/zinc/08/98/16/171089816.db2.gz FBERVOWJPTTWFH-SFHVURJKSA-N 1 1 274.452 3.761 10 0 CHAEMO CCc1ccc([C@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020225735 171089821 /nfs/dbraw/zinc/08/98/21/171089821.db2.gz FBERVOWJPTTWFH-SFHVURJKSA-N 1 1 274.452 3.761 10 0 CHAEMO C[C@H](Nc1[nH+]cccc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382055 171172749 /nfs/dbraw/zinc/17/27/49/171172749.db2.gz OESZQHVVCGFJSZ-GVMDUPDNSA-N 1 1 271.408 3.681 10 0 CHAEMO CC(C)[N@@H+](C)[C@@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000020549460 171246217 /nfs/dbraw/zinc/24/62/17/171246217.db2.gz MLGFRAHQHRQJEL-OALUTQOASA-N 1 1 282.431 3.638 10 0 CHAEMO CC(C)N(C)[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020549460 171246218 /nfs/dbraw/zinc/24/62/18/171246218.db2.gz MLGFRAHQHRQJEL-OALUTQOASA-N 1 1 282.431 3.638 10 0 CHAEMO C[N@H+](Cc1ccccc1)C1(CN)CCCCCCC1 ZINC000020553580 171249447 /nfs/dbraw/zinc/24/94/47/171249447.db2.gz MLJGQLAXMUMYMM-UHFFFAOYSA-N 1 1 260.425 3.560 10 0 CHAEMO C[N@@H+](Cc1ccccc1)C1(CN)CCCCCCC1 ZINC000020553580 171249448 /nfs/dbraw/zinc/24/94/48/171249448.db2.gz MLJGQLAXMUMYMM-UHFFFAOYSA-N 1 1 260.425 3.560 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)Cc1ccccc1 ZINC000020556327 171249770 /nfs/dbraw/zinc/24/97/70/171249770.db2.gz GRJNOFZDHXXMNA-RDJZCZTQSA-N 1 1 262.441 3.662 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)Cc1ccccc1 ZINC000020556327 171249771 /nfs/dbraw/zinc/24/97/71/171249771.db2.gz GRJNOFZDHXXMNA-RDJZCZTQSA-N 1 1 262.441 3.662 10 0 CHAEMO CC(C)C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1 ZINC000020555571 171250061 /nfs/dbraw/zinc/25/00/61/171250061.db2.gz WFEMGUUVYKYUQL-KRWDZBQOSA-N 1 1 276.468 3.951 10 0 CHAEMO CCN(CC)C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020561397 171251735 /nfs/dbraw/zinc/25/17/35/171251735.db2.gz BPBZKMJUUVEPNM-GOSISDBHSA-N 1 1 268.404 3.695 10 0 CHAEMO CCCC[N@@H+](C)C1(CN)CCC(C(C)(C)C)CC1 ZINC000020564513 171253569 /nfs/dbraw/zinc/25/35/69/171253569.db2.gz RRCVHFVTQCCBCR-UHFFFAOYSA-N 1 1 254.462 3.652 10 0 CHAEMO Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000020595931 171264712 /nfs/dbraw/zinc/26/47/12/171264712.db2.gz FOYUBSSRYIBSRE-GOSISDBHSA-N 1 1 280.415 3.990 10 0 CHAEMO Clc1nc2ccccc2cc1C[NH2+]Cc1ccccn1 ZINC000020967242 171282468 /nfs/dbraw/zinc/28/24/68/171282468.db2.gz KUKBZVWFPDXYLT-UHFFFAOYSA-N 1 1 283.762 3.573 10 0 CHAEMO C[N@@H+](C[C@H](N)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000021510080 171309575 /nfs/dbraw/zinc/30/95/75/171309575.db2.gz YJZLRECMIRWTRB-ZJIILYSQSA-N 1 1 290.495 3.795 10 0 CHAEMO CC(C)Cc1ccc([C@@H](N)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000021515312 171311832 /nfs/dbraw/zinc/31/18/32/171311832.db2.gz ANKJWRHUQNZPPT-YJBOKZPZSA-N 1 1 274.452 3.759 10 0 CHAEMO CC(C)Cc1ccc([C@@H]([NH3+])CN2CCCC[C@@H]2C)cc1 ZINC000021515312 171311834 /nfs/dbraw/zinc/31/18/34/171311834.db2.gz ANKJWRHUQNZPPT-YJBOKZPZSA-N 1 1 274.452 3.759 10 0 CHAEMO C[C@H]1CCCC[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000021812235 171329670 /nfs/dbraw/zinc/32/96/70/171329670.db2.gz ZETGRTJIZYRIIM-FUHWJXTLSA-N 1 1 274.452 3.677 10 0 CHAEMO CC(C)[C@H](CN[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000021817802 171333179 /nfs/dbraw/zinc/33/31/79/171333179.db2.gz ASCPOCGCMSZARP-WFASDCNBSA-N 1 1 268.832 3.577 10 0 CHAEMO C[C@@H]([NH2+]CC(C)(C)CN(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000021817481 171333268 /nfs/dbraw/zinc/33/32/68/171333268.db2.gz MZNLBXYTBJMEMW-DGTBMVLOSA-N 1 1 292.511 3.769 10 0 CHAEMO Cc1ccc([C@H](NCC[NH+](C)C)c2ccccc2)c(C)c1 ZINC000022142067 171355526 /nfs/dbraw/zinc/35/55/26/171355526.db2.gz GKWWUBMZOYDGGL-LJQANCHMSA-N 1 1 282.431 3.544 10 0 CHAEMO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)o1 ZINC000035382364 172165387 /nfs/dbraw/zinc/16/53/87/172165387.db2.gz LKPOHMDNSWROPF-LBPRGKRZSA-N 1 1 256.132 3.943 10 0 CHAEMO C[NH2+][C@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035463974 172211881 /nfs/dbraw/zinc/21/18/81/172211881.db2.gz YBGYSMKCQJTJEA-CQSZACIVSA-N 1 1 267.706 3.927 10 0 CHAEMO CC[C@@H](O)C[N@@H+](CCC(C)C)Cc1ccccc1C ZINC000035718240 172372080 /nfs/dbraw/zinc/37/20/80/172372080.db2.gz UDVMNNFUZREAJM-QGZVFWFLSA-N 1 1 263.425 3.614 10 0 CHAEMO CSc1cccc(N[C@@H](C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000037208864 173030078 /nfs/dbraw/zinc/03/00/78/173030078.db2.gz QGPRYYDMJYIFLO-STQMWFEESA-N 1 1 264.438 3.551 10 0 CHAEMO CC(C)c1cccc(N[C@H](C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000037221054 173040694 /nfs/dbraw/zinc/04/06/94/173040694.db2.gz AEKKEOPWAKARAO-GDBMZVCRSA-N 1 1 260.425 3.952 10 0 CHAEMO CC[N@H+](CC(=O)c1c(C)cc(C)cc1C)CC(C)C ZINC000037336404 173137910 /nfs/dbraw/zinc/13/79/10/173137910.db2.gz LVLVJADWYUROGT-UHFFFAOYSA-N 1 1 261.409 3.772 10 0 CHAEMO CCc1ccc(C(=O)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037339100 173140445 /nfs/dbraw/zinc/14/04/45/173140445.db2.gz GUVMUASEUJPHPB-KBPBESRZSA-N 1 1 261.409 3.797 10 0 CHAEMO CCC(CC)[N@@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037339192 173140839 /nfs/dbraw/zinc/14/08/39/173140839.db2.gz TVJYVQKNIVZZCI-UHFFFAOYSA-N 1 1 261.409 3.915 10 0 CHAEMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032520 174029009 /nfs/dbraw/zinc/02/90/09/174029009.db2.gz BGURWNPMLSAPIN-GOSISDBHSA-N 1 1 284.378 3.917 10 0 CHAEMO CC(C)c1ccc([C@H](C[NH3+])N2CCCCCC2)cc1 ZINC000039142616 174164208 /nfs/dbraw/zinc/16/42/08/174164208.db2.gz YVEJUYCIIDSIIN-KRWDZBQOSA-N 1 1 260.425 3.686 10 0 CHAEMO CC(C)Oc1ccc([C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000044120877 175143016 /nfs/dbraw/zinc/14/30/16/175143016.db2.gz SGALNGRIYJVTCT-GOSISDBHSA-N 1 1 291.435 3.772 10 0 CHAEMO CCCC[N@@H+](C)C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000044122770 175143088 /nfs/dbraw/zinc/14/30/88/175143088.db2.gz LBZPXBMCGUPTPB-INIZCTEOSA-N 1 1 263.425 3.749 10 0 CHAEMO Cc1cc(C)c([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121736 175143344 /nfs/dbraw/zinc/14/33/44/175143344.db2.gz RJXJSHWZLJMHHL-BBWFWOEESA-N 1 1 275.436 3.908 10 0 CHAEMO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000329151481 227330006 /nfs/dbraw/zinc/33/00/06/227330006.db2.gz SIXJWAYOCUUAAW-YUTCNCBUSA-N 1 1 285.391 3.574 10 0 CHAEMO Clc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202223 228112701 /nfs/dbraw/zinc/11/27/01/228112701.db2.gz FBVGHYLZVYIYJH-HNNXBMFYSA-N 1 1 275.783 3.790 10 0 CHAEMO Clc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202223 228112702 /nfs/dbraw/zinc/11/27/02/228112702.db2.gz FBVGHYLZVYIYJH-HNNXBMFYSA-N 1 1 275.783 3.790 10 0 CHAEMO CC1CCC(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000312686900 260190927 /nfs/dbraw/zinc/19/09/27/260190927.db2.gz DRHJTAIAJYKOKY-YOHUBWIESA-N 1 1 279.468 3.828 10 0 CHAEMO Cc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1C ZINC000092812622 260888569 /nfs/dbraw/zinc/88/85/69/260888569.db2.gz KXSXLDQJEHOCKI-QGZVFWFLSA-N 1 1 295.430 3.632 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(Cl)s1)CC2 ZINC000160842982 261228119 /nfs/dbraw/zinc/22/81/19/261228119.db2.gz MZRLWHKBKISMCZ-RISCZKNCSA-N 1 1 285.840 3.529 10 0 CHAEMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717589 261315746 /nfs/dbraw/zinc/31/57/46/261315746.db2.gz SLTMPLVZQNRRGM-NEPJUHHUSA-N 1 1 289.379 3.729 10 0 CHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000106211422 261322896 /nfs/dbraw/zinc/32/28/96/261322896.db2.gz JWIJYRCDMCJHOU-YOEHRIQHSA-N 1 1 283.419 3.935 10 0 CHAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000181545371 261901687 /nfs/dbraw/zinc/90/16/87/261901687.db2.gz PZZZGMIRBLIRDR-AWEZNQCLSA-N 1 1 257.381 3.623 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cncc(F)c1 ZINC000221896093 262320295 /nfs/dbraw/zinc/32/02/95/262320295.db2.gz YZTJLTCODARYPH-ZJUUUORDSA-N 1 1 280.293 3.911 10 0 CHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000093586102 265188552 /nfs/dbraw/zinc/18/85/52/265188552.db2.gz JVACXMVHWYMFKQ-CZUORRHYSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484003 266297392 /nfs/dbraw/zinc/29/73/92/266297392.db2.gz BJGPKKWSNDUEKV-KRWDZBQOSA-N 1 1 269.392 3.754 10 0 CHAEMO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290154 267136107 /nfs/dbraw/zinc/13/61/07/267136107.db2.gz JJAIIVQFEVQRMS-MRXNPFEDSA-N 1 1 298.386 3.618 10 0 CHAEMO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290154 267136109 /nfs/dbraw/zinc/13/61/09/267136109.db2.gz JJAIIVQFEVQRMS-MRXNPFEDSA-N 1 1 298.386 3.618 10 0 CHAEMO Fc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116292232 267137087 /nfs/dbraw/zinc/13/70/87/267137087.db2.gz CLYWRPCTWXUWGH-OAHLLOKOSA-N 1 1 275.323 3.635 10 0 CHAEMO Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000124565818 327104784 /nfs/dbraw/zinc/10/47/84/327104784.db2.gz FRZMFPBJFXYSTO-OTWHNJEPSA-N 1 1 287.447 3.819 10 0 CHAEMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000252955344 327124958 /nfs/dbraw/zinc/12/49/58/327124958.db2.gz JPYHIVCVNIVHBS-KURKYZTESA-N 1 1 291.410 3.650 10 0 CHAEMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000181889490 329238186 /nfs/dbraw/zinc/23/81/86/329238186.db2.gz PYFLXARXERUYBV-AWEZNQCLSA-N 1 1 293.407 3.929 10 0 CHAEMO Fc1ccc(F)c([C@H]2CCC[N@H+](Cc3cncs3)C2)c1 ZINC000188043108 329363602 /nfs/dbraw/zinc/36/36/02/329363602.db2.gz SHDLSOQACOQEMX-NSHDSACASA-N 1 1 294.370 3.801 10 0 CHAEMO Fc1ccc(F)c([C@H]2CCC[N@@H+](Cc3cncs3)C2)c1 ZINC000188043108 329363604 /nfs/dbraw/zinc/36/36/04/329363604.db2.gz SHDLSOQACOQEMX-NSHDSACASA-N 1 1 294.370 3.801 10 0 CHAEMO C[C@H](c1ccccc1)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188094217 329364288 /nfs/dbraw/zinc/36/42/88/329364288.db2.gz JEIOLDKQGVTXDB-XYPHTWIQSA-N 1 1 287.428 3.517 10 0 CHAEMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130822000 329628734 /nfs/dbraw/zinc/62/87/34/329628734.db2.gz VHTUQEAOOMPSCX-ZIAGYGMSSA-N 1 1 298.434 3.589 10 0 CHAEMO Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)no1 ZINC000044296223 330327347 /nfs/dbraw/zinc/32/73/47/330327347.db2.gz XUKPGETXSONIOT-ZDUSSCGKSA-N 1 1 266.344 3.987 10 0 CHAEMO O=C(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000105938852 330330881 /nfs/dbraw/zinc/33/08/81/330330881.db2.gz ZLESRIRRGRDUNF-AWEZNQCLSA-N 1 1 299.336 3.924 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000248828231 334318335 /nfs/dbraw/zinc/31/83/35/334318335.db2.gz GTCSNTXQXTUFSZ-QFBILLFUSA-N 1 1 297.446 3.850 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450955 333031681 /nfs/dbraw/zinc/03/16/81/333031681.db2.gz NSNYWYJZYPDOSM-DOTOQJQBSA-N 1 1 293.838 3.510 10 0 CHAEMO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000309783438 333049440 /nfs/dbraw/zinc/04/94/40/333049440.db2.gz LTSXXLRKRVSHOG-NEWSRXKRSA-N 1 1 288.479 3.921 10 0 CHAEMO Cc1csc([C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)n1 ZINC000246410710 334256786 /nfs/dbraw/zinc/25/67/86/334256786.db2.gz RGRVQQHQEPJYHL-KGLIPLIRSA-N 1 1 287.432 3.787 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)CCc1ccccc1 ZINC000246848133 334270623 /nfs/dbraw/zinc/27/06/23/334270623.db2.gz BZYWKAXSHZXELQ-VQIMIIECSA-N 1 1 297.446 3.677 10 0 CHAEMO C[C@@H](c1ccc(Cl)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252513063 334381788 /nfs/dbraw/zinc/38/17/88/334381788.db2.gz JIGXWHHCNDXDSH-BBRMVZONSA-N 1 1 278.827 3.571 10 0 CHAEMO CCC[N@H+](Cc1nnc(C(C)C)n1C)CC1CCCCC1 ZINC000195104203 336045287 /nfs/dbraw/zinc/04/52/87/336045287.db2.gz JZJKOXSFGNUYBH-UHFFFAOYSA-N 1 1 292.471 3.731 10 0 CHAEMO CCCCC[N@H+](C)Cc1c2ccccc2oc1CN ZINC000052454730 520153027 /nfs/dbraw/zinc/15/30/27/520153027.db2.gz MMSBNJLBVBGKNT-UHFFFAOYSA-N 1 1 260.381 3.514 10 0 CHAEMO CCCCC[N@@H+](C)Cc1c2ccccc2oc1CN ZINC000052454730 520153036 /nfs/dbraw/zinc/15/30/36/520153036.db2.gz MMSBNJLBVBGKNT-UHFFFAOYSA-N 1 1 260.381 3.514 10 0 CHAEMO CC(C)C[C@@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062790701 519226198 /nfs/dbraw/zinc/22/61/98/519226198.db2.gz FMFTUCVMFSDEET-LLVKDONJSA-N 1 1 283.734 3.575 10 0 CHAEMO CC(C)C[C@@H]1C[N@@H+](C2CCCC2)[C@@H](CC(C)C)CN1 ZINC000062663220 519272200 /nfs/dbraw/zinc/27/22/00/519272200.db2.gz GMIIJBCTMAAOQO-WBVHZDCISA-N 1 1 266.473 3.664 10 0 CHAEMO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000054558911 519801912 /nfs/dbraw/zinc/80/19/12/519801912.db2.gz WGQIKSKJRUTBNP-HUUCEWRRSA-N 1 1 265.441 3.892 10 0 CHAEMO CC(C)[C@H](CNC(C)(C)C)[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000052509738 519815875 /nfs/dbraw/zinc/81/58/75/519815875.db2.gz ZRVHYLWNOHELAA-KFWWJZLASA-N 1 1 254.462 3.520 10 0 CHAEMO CC(C)[C@H](CNC(C)(C)C)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000052509738 519815876 /nfs/dbraw/zinc/81/58/76/519815876.db2.gz ZRVHYLWNOHELAA-KFWWJZLASA-N 1 1 254.462 3.520 10 0 CHAEMO CC(C)[C@H]1CCC(=O)[C@H](C[N@@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000054559124 519824483 /nfs/dbraw/zinc/82/44/83/519824483.db2.gz SGDFPPDAOSLKFU-KKUMJFAQSA-N 1 1 267.457 3.994 10 0 CHAEMO CC[NH2+]C1CCN([C@@H](c2cccs2)C(C)C)CC1 ZINC000049557866 519908936 /nfs/dbraw/zinc/90/89/36/519908936.db2.gz QEXSUYKTGUXSLI-OAHLLOKOSA-N 1 1 266.454 3.519 10 0 CHAEMO CCNc1ccc(C[N@@H+](C)C2CCC(C)CC2)cn1 ZINC000050817577 520298762 /nfs/dbraw/zinc/29/87/62/520298762.db2.gz GOLCOISYVUCVCW-UHFFFAOYSA-N 1 1 261.413 3.524 10 0 CHAEMO CCCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062625641 520598268 /nfs/dbraw/zinc/59/82/68/520598268.db2.gz JUJOFNRCANUKPQ-HOTGVXAUSA-N 1 1 254.462 3.521 10 0 CHAEMO CCCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062625642 520598925 /nfs/dbraw/zinc/59/89/25/520598925.db2.gz JUJOFNRCANUKPQ-CVEARBPZSA-N 1 1 254.462 3.521 10 0 CHAEMO CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1N ZINC000050442891 523027795 /nfs/dbraw/zinc/02/77/95/523027795.db2.gz ZHQQEVDEBVSKDM-ZDUSSCGKSA-N 1 1 252.789 3.687 10 0 CHAEMO C[N@H+]1CCCC[C@H]1CNc1ccc(C(F)(F)F)cc1 ZINC000054186899 523800917 /nfs/dbraw/zinc/80/09/17/523800917.db2.gz CFUBHVICHGGTSV-ZDUSSCGKSA-N 1 1 272.314 3.602 10 0 CHAEMO C[C@H](CCN(C)C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551637 524169955 /nfs/dbraw/zinc/16/99/55/524169955.db2.gz QBQPBRRZTDANJC-ILXRZTDVSA-N 1 1 254.462 3.521 10 0 CHAEMO Cc1cc(F)ccc1[C@@H](CN)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000050579146 525002324 /nfs/dbraw/zinc/00/23/24/525002324.db2.gz SFDQQLDNHBVUMC-SWLSCSKDSA-N 1 1 266.404 3.500 10 0 CHAEMO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)[C@@H](C)C(C)(C)C ZINC000050579146 525002333 /nfs/dbraw/zinc/00/23/33/525002333.db2.gz SFDQQLDNHBVUMC-SWLSCSKDSA-N 1 1 266.404 3.500 10 0 CHAEMO COc1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000120422612 525164538 /nfs/dbraw/zinc/16/45/38/525164538.db2.gz OCSLBUJUMZWSSH-DNVCBOLYSA-N 1 1 298.430 3.649 10 0 CHAEMO Cc1ccc(NCC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000052205165 525278554 /nfs/dbraw/zinc/27/85/54/525278554.db2.gz BXQVVSAQOYEWFD-AWEZNQCLSA-N 1 1 266.816 3.935 10 0 CHAEMO Cc1cc(N[C@@H](c2cccs2)C(C)C)nc(C)[nH+]1 ZINC000049558309 525295723 /nfs/dbraw/zinc/29/57/23/525295723.db2.gz YQFXBNFTXWAPCZ-CQSZACIVSA-N 1 1 261.394 3.964 10 0 CHAEMO Cc1ccc(Nc2[nH+]cc(N)cc2C)c(Br)c1 ZINC000052812396 525330403 /nfs/dbraw/zinc/33/04/03/525330403.db2.gz PFUJORJJPYDZFT-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)n2)o1 ZINC000131049311 525734661 /nfs/dbraw/zinc/73/46/61/525734661.db2.gz RSBKINOEXXTBQH-SNVBAGLBSA-N 1 1 295.180 3.596 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccncc2)o1 ZINC000130957532 525995818 /nfs/dbraw/zinc/99/58/18/525995818.db2.gz HGKCCADEZMEXSX-OAHLLOKOSA-N 1 1 256.349 3.710 10 0 CHAEMO Fc1cc(Cl)ccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000157436690 526302363 /nfs/dbraw/zinc/30/23/63/526302363.db2.gz IPTILOPDEFFZFM-CQSZACIVSA-N 1 1 277.726 3.702 10 0 CHAEMO Cc1nc(C[NH2+][C@H](c2cccs2)C(C)C)oc1C ZINC000049556117 526894821 /nfs/dbraw/zinc/89/48/21/526894821.db2.gz GTYJNXDJZURANM-AWEZNQCLSA-N 1 1 264.394 3.840 10 0 CHAEMO Cc1nc(C[NH2+][C@H](CC(C)C)c2ccccc2)c[nH]1 ZINC000054821913 526894920 /nfs/dbraw/zinc/89/49/20/526894920.db2.gz NGCNGLFWMAYFHS-MRXNPFEDSA-N 1 1 257.381 3.595 10 0 CHAEMO CC(C)c1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000675074980 567024692 /nfs/dbraw/zinc/02/46/92/567024692.db2.gz DXNNWHOQDCJZQY-UHFFFAOYSA-N 1 1 283.415 3.805 10 0 CHAEMO c1csc(C2=CC[N@@H+](C[C@H]3CCC=CO3)CC2)c1 ZINC000193983708 1125551553 /nfs/dbraw/zinc/55/15/53/1125551553.db2.gz TYWMYTNPWFWSGH-CQSZACIVSA-N 1 1 261.390 3.530 10 0 CHAEMO Clc1cc(C[N@H+]2CCCC23CCC3)c2c(c1)COCO2 ZINC000365636357 1127736636 /nfs/dbraw/zinc/73/66/36/1127736636.db2.gz JHHCFEYSNVFQBL-UHFFFAOYSA-N 1 1 293.794 3.725 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726374 1119713163 /nfs/dbraw/zinc/71/31/63/1119713163.db2.gz JTHOAFLAKBGPFC-CYBMUJFWSA-N 1 1 273.380 3.776 10 0 CHAEMO CCn1c(N)c(-c2ccccc2Cl)[nH+]c1C(C)C ZINC000103501580 185845393 /nfs/dbraw/zinc/84/53/93/185845393.db2.gz OZIKFDRFPVMDBP-UHFFFAOYSA-N 1 1 263.772 3.929 10 0 CHAEMO CCc1nc(N[C@H](C)c2ccc(C)c(F)c2)cc(C)[nH+]1 ZINC000312414455 260008066 /nfs/dbraw/zinc/00/80/66/260008066.db2.gz XMBDURWMMNQCML-GFCCVEGCSA-N 1 1 273.355 3.968 10 0 CHAEMO c1cc(C[NH2+]Cc2nc3ccccc3s2)cs1 ZINC000020136031 171023370 /nfs/dbraw/zinc/02/33/70/171023370.db2.gz MTEXZRLXOYCGEA-UHFFFAOYSA-N 1 1 260.387 3.648 10 0 CHAEMO CCCCCC[C@](C)(CN)[N@H+](C)Cc1ccccc1 ZINC000020362580 171161849 /nfs/dbraw/zinc/16/18/49/171161849.db2.gz OQWFSALBLZPMIG-QGZVFWFLSA-N 1 1 262.441 3.806 10 0 CHAEMO CCCCCC[C@](C)(CN)[N@@H+](C)Cc1ccccc1 ZINC000020362580 171161850 /nfs/dbraw/zinc/16/18/50/171161850.db2.gz OQWFSALBLZPMIG-QGZVFWFLSA-N 1 1 262.441 3.806 10 0 CHAEMO COc1ccc2oc([C@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389614 171178917 /nfs/dbraw/zinc/17/89/17/171178917.db2.gz CRLQIHALNWBSSD-MRXNPFEDSA-N 1 1 271.291 3.629 10 0 CHAEMO NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCCC1 ZINC000020545798 171243621 /nfs/dbraw/zinc/24/36/21/171243621.db2.gz XTJFYZDJLXLRAD-OAHLLOKOSA-N 1 1 266.816 3.606 10 0 CHAEMO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000020546228 171244037 /nfs/dbraw/zinc/24/40/37/171244037.db2.gz GPQSLYWPUOZNAR-BHYGNILZSA-N 1 1 260.425 3.585 10 0 CHAEMO CCC[C@@H](NC[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000020564565 171253604 /nfs/dbraw/zinc/25/36/04/171253604.db2.gz FJQQWVGIODCIIV-SJORKVTESA-N 1 1 262.441 3.704 10 0 CHAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1cccnc1 ZINC000020592853 171262501 /nfs/dbraw/zinc/26/25/01/171262501.db2.gz PAVYKETWBJBFJU-CQSZACIVSA-N 1 1 258.708 3.529 10 0 CHAEMO Cc1ccc(F)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595895 171264494 /nfs/dbraw/zinc/26/44/94/171264494.db2.gz OPLZCLRTNLIBKN-QGZVFWFLSA-N 1 1 284.378 3.821 10 0 CHAEMO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccccn1 ZINC000020929025 171280363 /nfs/dbraw/zinc/28/03/63/171280363.db2.gz ZZBZVHMPMYBXBO-UHFFFAOYSA-N 1 1 290.794 3.814 10 0 CHAEMO CCc1ccc([C@@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000021058101 171296461 /nfs/dbraw/zinc/29/64/61/171296461.db2.gz JZJAGVGZNPPOJZ-KRWDZBQOSA-N 1 1 260.425 3.513 10 0 CHAEMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000021501421 171305480 /nfs/dbraw/zinc/30/54/80/171305480.db2.gz HUIKTDDMKMZFBL-PMPSAXMXSA-N 1 1 268.489 3.625 10 0 CHAEMO CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)N(C)C ZINC000021504506 171307221 /nfs/dbraw/zinc/30/72/21/171307221.db2.gz WZIJSHAXZVIIDW-CYBMUJFWSA-N 1 1 289.250 3.669 10 0 CHAEMO CN(C)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021803579 171326727 /nfs/dbraw/zinc/32/67/27/171326727.db2.gz HIMSFAQGEVCELA-GJZGRUSLSA-N 1 1 268.489 3.769 10 0 CHAEMO OC1(CNc2cc[nH+]c3cc(Cl)ccc23)CCCCC1 ZINC000034248341 171835462 /nfs/dbraw/zinc/83/54/62/171835462.db2.gz GUFDMVOXSAQABI-UHFFFAOYSA-N 1 1 290.794 3.995 10 0 CHAEMO CCCCCC[C@](C)(CN)[N@@H+](C)C1CCCCC1 ZINC000035176711 172030235 /nfs/dbraw/zinc/03/02/35/172030235.db2.gz FQZAAMMOXQFKJI-MRXNPFEDSA-N 1 1 254.462 3.939 10 0 CHAEMO CC[N@@H+](C1CCCCC1)C1(CN)CCC(C)CC1 ZINC000035176721 172030290 /nfs/dbraw/zinc/03/02/90/172030290.db2.gz PGHXVVRAQRDNBS-UHFFFAOYSA-N 1 1 252.446 3.549 10 0 CHAEMO CC[N@@H+](C1CCCCC1)[C@]1(CN)CCCc2ccccc21 ZINC000035176740 172030307 /nfs/dbraw/zinc/03/03/07/172030307.db2.gz QGBAWMJIZDCUDT-IBGZPJMESA-N 1 1 286.463 3.832 10 0 CHAEMO CC[NH2+][C@H](c1cccs1)c1c(F)cc(F)cc1F ZINC000035544558 172252960 /nfs/dbraw/zinc/25/29/60/172252960.db2.gz LVINSTFLTAPIPS-CYBMUJFWSA-N 1 1 271.307 3.864 10 0 CHAEMO C[N@@H+](Cc1ccsc1)Cc1ccc(Cl)c(N)c1 ZINC000035718386 172372404 /nfs/dbraw/zinc/37/24/04/172372404.db2.gz NNTBCKYSKJPIQP-UHFFFAOYSA-N 1 1 266.797 3.616 10 0 CHAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cc(C)cc(C)c2)C1 ZINC000037210127 173031842 /nfs/dbraw/zinc/03/18/42/173031842.db2.gz AGFWJWDAZDCSSB-HZPDHXFCSA-N 1 1 260.425 3.836 10 0 CHAEMO CC[N@@H+](CCCC(=O)c1ccccc1)C1CCCC1 ZINC000037323389 173124411 /nfs/dbraw/zinc/12/44/11/173124411.db2.gz PWZFZUJQLCECLE-UHFFFAOYSA-N 1 1 259.393 3.914 10 0 CHAEMO CCC[N@@H+](C(C)C)[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037335209 173136758 /nfs/dbraw/zinc/13/67/58/173136758.db2.gz PNAMVSFUJASBPG-OAHLLOKOSA-N 1 1 261.409 3.995 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037336398 173137797 /nfs/dbraw/zinc/13/77/97/173137797.db2.gz UKCOHARWPKPMGA-OAHLLOKOSA-N 1 1 261.409 3.853 10 0 CHAEMO CCc1ccc(C(=O)[C@@H](C)[N@H+](CC)[C@@H](C)CC)cc1 ZINC000037336731 173137938 /nfs/dbraw/zinc/13/79/38/173137938.db2.gz ZLTUJGAEXUESIG-UONOGXRCSA-N 1 1 261.409 3.941 10 0 CHAEMO CC[C@H]1CCC[N@@H+](CC(=O)c2ccc(C)cc2C)C1 ZINC000037339474 173140360 /nfs/dbraw/zinc/14/03/60/173140360.db2.gz ZECZHMVJKMBOAR-HNNXBMFYSA-N 1 1 259.393 3.608 10 0 CHAEMO COc1ccc(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)cc1Cl ZINC000037339040 173140714 /nfs/dbraw/zinc/14/07/14/173140714.db2.gz TVBZZLUMYYMQQF-NSHDSACASA-N 1 1 283.799 3.508 10 0 CHAEMO Cc1ccc(C[N@H+](C)Cc2cc(N)ccc2Cl)cc1 ZINC000037403078 173179548 /nfs/dbraw/zinc/17/95/48/173179548.db2.gz LNMBZQLOIABEQO-UHFFFAOYSA-N 1 1 274.795 3.863 10 0 CHAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000038636489 174150793 /nfs/dbraw/zinc/15/07/93/174150793.db2.gz NUTUJJDVYVBOFD-QGZVFWFLSA-N 1 1 262.441 3.932 10 0 CHAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000038983690 174161255 /nfs/dbraw/zinc/16/12/55/174161255.db2.gz MKJPQUJUXGGAKZ-QGZVFWFLSA-N 1 1 278.440 3.596 10 0 CHAEMO CC(C)(C)c1ccc([C@H](C[NH3+])N2CCCCCC2)cc1 ZINC000039148484 174164200 /nfs/dbraw/zinc/16/42/00/174164200.db2.gz XEKRDIOCDHMSRU-KRWDZBQOSA-N 1 1 274.452 3.860 10 0 CHAEMO CC(C)c1ccc([C@@H](CN)[NH+]2CCC(C)CC2)cc1 ZINC000039142600 174164329 /nfs/dbraw/zinc/16/43/29/174164329.db2.gz COHHSDLBASTHGD-QGZVFWFLSA-N 1 1 260.425 3.542 10 0 CHAEMO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCCC[C@@H]1N ZINC000040431886 174260470 /nfs/dbraw/zinc/26/04/70/174260470.db2.gz HVMKFWTUIFKOBB-DLBZAZTESA-N 1 1 260.425 3.557 10 0 CHAEMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCCC[C@@H]1N ZINC000040431886 174260471 /nfs/dbraw/zinc/26/04/71/174260471.db2.gz HVMKFWTUIFKOBB-DLBZAZTESA-N 1 1 260.425 3.557 10 0 CHAEMO Cc1cc(C)c([C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121732 175143224 /nfs/dbraw/zinc/14/32/24/175143224.db2.gz RJXJSHWZLJMHHL-IXDOHACOSA-N 1 1 275.436 3.908 10 0 CHAEMO CC(C)(C)[N@@H+](CCC(=O)c1ccccn1)Cc1ccccc1 ZINC000045355314 175362044 /nfs/dbraw/zinc/36/20/44/175362044.db2.gz JBCFSSJYNCPJND-UHFFFAOYSA-N 1 1 296.414 3.955 10 0 CHAEMO C[N@H+]1C[C@@H]2CCC[C@]2(c2ccc3ccccc3c2)C1 ZINC000072105533 176316493 /nfs/dbraw/zinc/31/64/93/176316493.db2.gz QSOVYEIFTQKDEW-ZWKOTPCHSA-N 1 1 251.373 3.823 10 0 CHAEMO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2COc3ccccc32)o1 ZINC000070070220 260151324 /nfs/dbraw/zinc/15/13/24/260151324.db2.gz YNCOSWVPXLTNBB-TUKIKUTGSA-N 1 1 269.344 3.626 10 0 CHAEMO Fc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1Br ZINC000449036750 261117354 /nfs/dbraw/zinc/11/73/54/261117354.db2.gz VJQISOWFPYCNDK-CABZTGNLSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c1Br ZINC000449036750 261117357 /nfs/dbraw/zinc/11/73/57/261117357.db2.gz VJQISOWFPYCNDK-CABZTGNLSA-N 1 1 284.172 3.573 10 0 CHAEMO CC[C@H](C)[C@H](C)[N@@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000105717590 261315773 /nfs/dbraw/zinc/31/57/73/261315773.db2.gz SLTMPLVZQNRRGM-RYUDHWBXSA-N 1 1 289.379 3.729 10 0 CHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000106206194 261322819 /nfs/dbraw/zinc/32/28/19/261322819.db2.gz MTVYBEISADLFIA-SFHVURJKSA-N 1 1 297.446 3.991 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3)C2)c1 ZINC000106220016 261323477 /nfs/dbraw/zinc/32/34/77/261323477.db2.gz DCVWXFUOWRHKHY-GOSISDBHSA-N 1 1 283.419 3.645 10 0 CHAEMO Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664130 261339229 /nfs/dbraw/zinc/33/92/29/261339229.db2.gz VUYUOKLOCWPNQN-FUHWJXTLSA-N 1 1 295.430 3.855 10 0 CHAEMO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164629951 261355948 /nfs/dbraw/zinc/35/59/48/261355948.db2.gz QIPBMRKZEKOQPC-XJKSGUPXSA-N 1 1 284.407 3.587 10 0 CHAEMO CCCCc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000164653906 261356568 /nfs/dbraw/zinc/35/65/68/261356568.db2.gz VLMZENDYCPKEMH-PBHICJAKSA-N 1 1 298.434 3.806 10 0 CHAEMO CC(C)c1nnc(C[NH2+][C@H](c2ccccc2)C2CCC2)n1C ZINC000170920061 261451170 /nfs/dbraw/zinc/45/11/70/261451170.db2.gz CLRHHAJDHUMDBR-QGZVFWFLSA-N 1 1 298.434 3.570 10 0 CHAEMO COc1cccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120422856 262194892 /nfs/dbraw/zinc/19/48/92/262194892.db2.gz BJYIBGHREVFTAS-KXBFYZLASA-N 1 1 298.430 3.649 10 0 CHAEMO CC(C)(C)SCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000311733372 262340016 /nfs/dbraw/zinc/34/00/16/262340016.db2.gz PALOGSVXZLVWGP-RRFJBIMHSA-N 1 1 285.497 3.534 10 0 CHAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000094826916 265260198 /nfs/dbraw/zinc/26/01/98/265260198.db2.gz IOUARYFPYTXHGQ-BLLLJJGKSA-N 1 1 284.394 3.592 10 0 CHAEMO Cc1ccccc1[C@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000049856253 328380360 /nfs/dbraw/zinc/38/03/60/328380360.db2.gz PPODYTVMVVTOTQ-JKSUJKDBSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1ccccc1[C@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000049856253 328380361 /nfs/dbraw/zinc/38/03/61/328380361.db2.gz PPODYTVMVVTOTQ-JKSUJKDBSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000049856253 328380362 /nfs/dbraw/zinc/38/03/62/328380362.db2.gz PPODYTVMVVTOTQ-JKSUJKDBSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)CC1CC(O)C1 ZINC000091489504 327171146 /nfs/dbraw/zinc/17/11/46/327171146.db2.gz KHOYJWZIQRFIKK-UHFFFAOYSA-N 1 1 289.463 3.804 10 0 CHAEMO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000172027757 329083260 /nfs/dbraw/zinc/08/32/60/329083260.db2.gz WIYFNMNXWOQCGF-INIZCTEOSA-N 1 1 299.370 3.698 10 0 CHAEMO CSc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000172272164 329084457 /nfs/dbraw/zinc/08/44/57/329084457.db2.gz ODYUDBVHVXWBPW-MRXNPFEDSA-N 1 1 287.432 3.859 10 0 CHAEMO Cc1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c(C)s1 ZINC000172270978 329084525 /nfs/dbraw/zinc/08/45/25/329084525.db2.gz HVPKBFDTBLRASB-HNNXBMFYSA-N 1 1 275.421 3.815 10 0 CHAEMO Cc1[nH+]ccn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000175530690 329169593 /nfs/dbraw/zinc/16/95/93/329169593.db2.gz GHWRNRGZQBCZSD-UHFFFAOYSA-N 1 1 273.723 3.548 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(F)cc1 ZINC000178284082 329195644 /nfs/dbraw/zinc/19/56/44/329195644.db2.gz RZDKXGJRTQYXNB-GUYCJALGSA-N 1 1 287.382 3.556 10 0 CHAEMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NCCCCCO)c2C1 ZINC000179262334 329206846 /nfs/dbraw/zinc/20/68/46/329206846.db2.gz NNNJLCBPFWEPCL-HNNXBMFYSA-N 1 1 290.451 3.621 10 0 CHAEMO Cc1nc(C)c([C@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000181655196 329235536 /nfs/dbraw/zinc/23/55/36/329235536.db2.gz XUHNXAUYUJNIPU-SWLSCSKDSA-N 1 1 295.496 3.531 10 0 CHAEMO Cc1nc(C)c([C@H](C)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000181655196 329235538 /nfs/dbraw/zinc/23/55/38/329235538.db2.gz XUHNXAUYUJNIPU-SWLSCSKDSA-N 1 1 295.496 3.531 10 0 CHAEMO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351598 329274621 /nfs/dbraw/zinc/27/46/21/329274621.db2.gz PXKDPDAPANPWIH-NEPJUHHUSA-N 1 1 272.396 3.648 10 0 CHAEMO Fc1ccc(F)c([C@@H]2CCC[N@H+](Cc3cncs3)C2)c1 ZINC000188043083 329363820 /nfs/dbraw/zinc/36/38/20/329363820.db2.gz SHDLSOQACOQEMX-LLVKDONJSA-N 1 1 294.370 3.801 10 0 CHAEMO Fc1ccc(F)c([C@@H]2CCC[N@@H+](Cc3cncs3)C2)c1 ZINC000188043083 329363821 /nfs/dbraw/zinc/36/38/21/329363821.db2.gz SHDLSOQACOQEMX-LLVKDONJSA-N 1 1 294.370 3.801 10 0 CHAEMO C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccoc1 ZINC000379615833 330142081 /nfs/dbraw/zinc/14/20/81/330142081.db2.gz BGCGPCNCNJUMBA-LPHOPBHVSA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccoc1 ZINC000379615833 330142082 /nfs/dbraw/zinc/14/20/82/330142082.db2.gz BGCGPCNCNJUMBA-LPHOPBHVSA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@@H](C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000116879700 330361219 /nfs/dbraw/zinc/36/12/19/330361219.db2.gz VWDAEAPUTSBXBI-WMLDXEAASA-N 1 1 269.392 3.740 10 0 CHAEMO CCC[C@@H](NC[C@H]1CCC[N@H+]1CC(C)C)c1ccccn1 ZINC000090773240 330395811 /nfs/dbraw/zinc/39/58/11/330395811.db2.gz UYNIPSMFBLQPSJ-IAGOWNOFSA-N 1 1 289.467 3.633 10 0 CHAEMO CCC[C@@H]([NH2+]C[C@H]1CCCN1CC(C)C)c1ccccn1 ZINC000090773240 330395812 /nfs/dbraw/zinc/39/58/12/330395812.db2.gz UYNIPSMFBLQPSJ-IAGOWNOFSA-N 1 1 289.467 3.633 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000248828226 334318329 /nfs/dbraw/zinc/31/83/29/334318329.db2.gz GTCSNTXQXTUFSZ-LPHOPBHVSA-N 1 1 297.446 3.850 10 0 CHAEMO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000177505055 333060030 /nfs/dbraw/zinc/06/00/30/333060030.db2.gz ONGKHELSRWIMPB-CYBMUJFWSA-N 1 1 299.418 3.719 10 0 CHAEMO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000311901566 333074191 /nfs/dbraw/zinc/07/41/91/333074191.db2.gz YFSVWBGZTMFSLP-GVDBMIGSSA-N 1 1 265.441 3.582 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000219823303 333157683 /nfs/dbraw/zinc/15/76/83/333157683.db2.gz YJZWWWKUPGXRDL-XJKSGUPXSA-N 1 1 297.801 3.606 10 0 CHAEMO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000186420358 333160506 /nfs/dbraw/zinc/16/05/06/333160506.db2.gz QXDMBHZGESRCIA-GOEBONIOSA-N 1 1 273.424 3.582 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1c(F)cccc1Cl)CC2 ZINC000220384067 333165911 /nfs/dbraw/zinc/16/59/11/333165911.db2.gz ORCXDHODDXJZNP-LRDDRELGSA-N 1 1 297.801 3.606 10 0 CHAEMO CC(C)c1ccccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250472691 333305490 /nfs/dbraw/zinc/30/54/90/333305490.db2.gz RCRSDFWNTDOBIH-GJZGRUSLSA-N 1 1 258.409 3.849 10 0 CHAEMO CC[C@H]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000080428871 334171275 /nfs/dbraw/zinc/17/12/75/334171275.db2.gz HYMVFNWPOSZZKN-YJBOKZPZSA-N 1 1 288.435 3.509 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)CCc3ccccc3)C2)c1 ZINC000246925299 334272228 /nfs/dbraw/zinc/27/22/28/334272228.db2.gz AOJGTKKHWJOZMR-MJGOQNOKSA-N 1 1 297.446 3.850 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)c1 ZINC000247592619 334286540 /nfs/dbraw/zinc/28/65/40/334286540.db2.gz JVFIFNNMFGURMR-HKUYNNGSSA-N 1 1 295.430 3.906 10 0 CHAEMO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247943398 334292135 /nfs/dbraw/zinc/29/21/35/334292135.db2.gz DFAHRAXQRWETII-XNJGSVPQSA-N 1 1 295.373 3.653 10 0 CHAEMO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247955720 334292170 /nfs/dbraw/zinc/29/21/70/334292170.db2.gz FNVHIFXCWJUPDF-IIYDPXPESA-N 1 1 295.373 3.653 10 0 CHAEMO CCC(C)(C)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000248268416 334297861 /nfs/dbraw/zinc/29/78/61/334297861.db2.gz PFVFUWVPTWCOJW-LBPRGKRZSA-N 1 1 296.842 3.638 10 0 CHAEMO CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000248268416 334297862 /nfs/dbraw/zinc/29/78/62/334297862.db2.gz PFVFUWVPTWCOJW-LBPRGKRZSA-N 1 1 296.842 3.638 10 0 CHAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CCO[C@H]2CCCCO2)o1 ZINC000248857457 334319763 /nfs/dbraw/zinc/31/97/63/334319763.db2.gz ZIMAKUVHXBZTGY-RDJZCZTQSA-N 1 1 293.407 3.658 10 0 CHAEMO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000249385087 334333090 /nfs/dbraw/zinc/33/30/90/334333090.db2.gz YJHKOFHEFLRGLR-OIISXLGYSA-N 1 1 278.484 3.665 10 0 CHAEMO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251109676 334356816 /nfs/dbraw/zinc/35/68/16/334356816.db2.gz TUFFKCDQAILSQG-JGGQBBKZSA-N 1 1 280.843 3.850 10 0 CHAEMO C[C@@H](c1ccc(Cl)cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251512452 334362576 /nfs/dbraw/zinc/36/25/76/334362576.db2.gz ITVXQRNLXRCRSO-AAEUAGOBSA-N 1 1 299.245 3.834 10 0 CHAEMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000252419970 334379297 /nfs/dbraw/zinc/37/92/97/334379297.db2.gz XBNCOFTXYQOTFJ-LCGQUYPVSA-N 1 1 278.484 3.662 10 0 CHAEMO CCC[C@H](C)C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000252733969 334388111 /nfs/dbraw/zinc/38/81/11/334388111.db2.gz XQLCAMGLBHVFHJ-DETPVDSQSA-N 1 1 283.362 3.509 10 0 CHAEMO O=C(C[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000092064469 334393592 /nfs/dbraw/zinc/39/35/92/334393592.db2.gz OFAUXARDTKBLJB-INIZCTEOSA-N 1 1 275.367 3.806 10 0 CHAEMO Cc1csc([C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC000177088771 335358455 /nfs/dbraw/zinc/35/84/55/335358455.db2.gz RGRVQQHQEPJYHL-KBPBESRZSA-N 1 1 287.432 3.787 10 0 CHAEMO C[C@@H](C[N@H+]1CCSC2(CCC2)CC1)C(F)(F)F ZINC000334732610 533863099 /nfs/dbraw/zinc/86/30/99/533863099.db2.gz KYFRHRUFCONFHL-JTQLQIEISA-N 1 1 267.360 3.546 10 0 CHAEMO C[C@H](C[N@H+]1CCSC2(CCC2)CC1)C(F)(F)F ZINC000334732611 534069970 /nfs/dbraw/zinc/06/99/70/534069970.db2.gz KYFRHRUFCONFHL-SNVBAGLBSA-N 1 1 267.360 3.546 10 0 CHAEMO CC(C)C[C@@H]1CNCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062705197 519273790 /nfs/dbraw/zinc/27/37/90/519273790.db2.gz IIFHKTBIUUBMEA-GOSISDBHSA-N 1 1 288.479 3.804 10 0 CHAEMO CC(C)C[C@@H]1CNCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062705197 519273793 /nfs/dbraw/zinc/27/37/93/519273793.db2.gz IIFHKTBIUUBMEA-GOSISDBHSA-N 1 1 288.479 3.804 10 0 CHAEMO CCCC1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000050893075 519903660 /nfs/dbraw/zinc/90/36/60/519903660.db2.gz DTFZFWMNTPMADC-CQSZACIVSA-N 1 1 266.454 3.568 10 0 CHAEMO CCCCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062664757 520183199 /nfs/dbraw/zinc/18/31/99/520183199.db2.gz SXBOAYXLRSLDBB-IRXDYDNUSA-N 1 1 268.489 3.911 10 0 CHAEMO CCCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062668269 520183717 /nfs/dbraw/zinc/18/37/17/520183717.db2.gz CJIZSQCWLZPTFA-QZTJIDSGSA-N 1 1 274.452 3.848 10 0 CHAEMO CCCCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062668269 520183722 /nfs/dbraw/zinc/18/37/22/520183722.db2.gz CJIZSQCWLZPTFA-QZTJIDSGSA-N 1 1 274.452 3.848 10 0 CHAEMO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000139064971 520417520 /nfs/dbraw/zinc/41/75/20/520417520.db2.gz NLHHRNLFTLLGNO-OLZOCXBDSA-N 1 1 273.380 3.610 10 0 CHAEMO CCc1nc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156997732 522306571 /nfs/dbraw/zinc/30/65/71/522306571.db2.gz ZQDGEZQLLLXCOL-LLVKDONJSA-N 1 1 293.461 3.542 10 0 CHAEMO CCc1nc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156997732 522306579 /nfs/dbraw/zinc/30/65/79/522306579.db2.gz ZQDGEZQLLLXCOL-LLVKDONJSA-N 1 1 293.461 3.542 10 0 CHAEMO Cc1ccc(NCC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000052205167 525279914 /nfs/dbraw/zinc/27/99/14/525279914.db2.gz BXQVVSAQOYEWFD-CQSZACIVSA-N 1 1 266.816 3.935 10 0 CHAEMO Cc1ccccc1[C@@H](C)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000131013724 525350541 /nfs/dbraw/zinc/35/05/41/525350541.db2.gz BTJOQBIKQCVRSJ-HIFRSBDPSA-N 1 1 288.416 3.586 10 0 CHAEMO Cc1ccccc1[C@@H](C)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000131013724 525350551 /nfs/dbraw/zinc/35/05/51/525350551.db2.gz BTJOQBIKQCVRSJ-HIFRSBDPSA-N 1 1 288.416 3.586 10 0 CHAEMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000127663317 525406807 /nfs/dbraw/zinc/40/68/07/525406807.db2.gz HNMMPYQPNAVCSN-WMLDXEAASA-N 1 1 269.392 3.627 10 0 CHAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](CC(N)=S)c1ccccc1 ZINC000055025470 525641962 /nfs/dbraw/zinc/64/19/62/525641962.db2.gz JKLDGKGVKOZQFI-GUTXKFCHSA-N 1 1 276.449 3.524 10 0 CHAEMO Cc1[nH+]c2cc(N)ccc2n1-c1ccc(Cl)c(F)c1 ZINC000052855027 527121720 /nfs/dbraw/zinc/12/17/20/527121720.db2.gz ZRHBPVDISZJRPN-UHFFFAOYSA-N 1 1 275.714 3.709 10 0 CHAEMO C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[NH+](C)C ZINC000006032472 560204644 /nfs/dbraw/zinc/20/46/44/560204644.db2.gz POZJNEBUHLZROM-GFCCVEGCSA-N 1 1 298.411 3.766 10 0 in-vitro CHAEMO Clc1sccc1[C@H]1[NH2+]CCc2sccc21 ZINC000397160441 570290027 /nfs/dbraw/zinc/29/00/27/570290027.db2.gz SYWGSFZKURFMEX-JTQLQIEISA-N 1 1 255.795 3.698 10 0 CHAEMO C/C(=C\c1ccco1)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000014991211 570317630 /nfs/dbraw/zinc/31/76/30/570317630.db2.gz IPSXOGCQWCGCBY-YVGNARHYSA-N 1 1 283.371 3.966 10 0 CHAEMO CC(=O)[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000095764183 185026955 /nfs/dbraw/zinc/02/69/55/185026955.db2.gz HPIOOTFKTKCKLG-RTBURBONSA-N 1 1 279.383 3.839 10 0 CHAEMO CN[C@@H](CC[N@@H+](C)C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000104412245 185992661 /nfs/dbraw/zinc/99/26/61/185992661.db2.gz RGAHDZIPYOGDGF-NOLJZWGESA-N 1 1 280.843 3.578 10 0 CHAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000090770514 180038074 /nfs/dbraw/zinc/03/80/74/180038074.db2.gz ILCXYZOBAAKUCE-CYBMUJFWSA-N 1 1 253.773 3.512 10 0 CHAEMO COC=C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000091361781 180141746 /nfs/dbraw/zinc/14/17/46/180141746.db2.gz PFDLMLXAYRDTNX-UHFFFAOYSA-N 1 1 265.356 3.622 10 0 CHAEMO CO[C@H]1CCC[N@@H+](C)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000005599848 170118226 /nfs/dbraw/zinc/11/82/26/170118226.db2.gz QCUUDMWBLCOCOY-AZUAARDMSA-N 1 1 295.426 3.928 10 0 CHAEMO O[C@]1(c2ccc(C(F)(F)F)cc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000006093310 170175677 /nfs/dbraw/zinc/17/56/77/170175677.db2.gz SEWOUMHWEWDIHT-LSDHHAIUSA-N 1 1 299.336 3.541 10 0 CHAEMO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129355 171017284 /nfs/dbraw/zinc/01/72/84/171017284.db2.gz CAMYMHRMZJKSBW-KBXCAEBGSA-N 1 1 286.394 3.779 10 0 CHAEMO Cc1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000020129319 171017342 /nfs/dbraw/zinc/01/73/42/171017342.db2.gz ZMXCYJBMIORERI-QFBILLFUSA-N 1 1 282.431 3.949 10 0 CHAEMO CC(C)c1ccc([C@H](CN)[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226077 171090567 /nfs/dbraw/zinc/09/05/67/171090567.db2.gz RFVQYEDVRFEDBX-INIZCTEOSA-N 1 1 262.441 3.788 10 0 CHAEMO CC(C)c1ccc([C@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226077 171090570 /nfs/dbraw/zinc/09/05/70/171090570.db2.gz RFVQYEDVRFEDBX-INIZCTEOSA-N 1 1 262.441 3.788 10 0 CHAEMO CC(C)C[N@@H+](C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226324 171092070 /nfs/dbraw/zinc/09/20/70/171092070.db2.gz PGMPRZMFTGQTEJ-INIZCTEOSA-N 1 1 262.441 3.572 10 0 CHAEMO CC(C)CN(C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226324 171092071 /nfs/dbraw/zinc/09/20/71/171092071.db2.gz PGMPRZMFTGQTEJ-INIZCTEOSA-N 1 1 262.441 3.572 10 0 CHAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000020369047 171167057 /nfs/dbraw/zinc/16/70/57/171167057.db2.gz REWRFCOGQHAZJS-OAHLLOKOSA-N 1 1 259.255 3.759 10 0 CHAEMO Cc1ccc2cc([C@@H]([NH3+])c3ccc(F)cc3)oc2c1 ZINC000020389286 171178501 /nfs/dbraw/zinc/17/85/01/171178501.db2.gz HHOWTSFHEFLEFS-INIZCTEOSA-N 1 1 255.292 3.928 10 0 CHAEMO c1csc(C[N@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)c1 ZINC000020452740 171207760 /nfs/dbraw/zinc/20/77/60/171207760.db2.gz MLLGJILKHDOHRY-UHFFFAOYSA-N 1 1 295.411 3.697 10 0 CHAEMO Cc1ccc(Cl)cc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523779 171237090 /nfs/dbraw/zinc/23/70/90/171237090.db2.gz IRTKHOFRKXUMCN-AGUYFDCRSA-N 1 1 264.800 3.686 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552828 171248140 /nfs/dbraw/zinc/24/81/40/171248140.db2.gz LNLOQXIKTZDOKA-BEFAXECRSA-N 1 1 286.463 3.588 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+]2CCc3ccccc3C2)C1 ZINC000020552828 171248141 /nfs/dbraw/zinc/24/81/41/171248141.db2.gz LNLOQXIKTZDOKA-BEFAXECRSA-N 1 1 286.463 3.588 10 0 CHAEMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1Cl)N(C)C ZINC000020561982 171252137 /nfs/dbraw/zinc/25/21/37/171252137.db2.gz WTOLLZFGJOHADL-IUODEOHRSA-N 1 1 268.832 3.577 10 0 CHAEMO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1Cl)N(C)C ZINC000020561985 171252433 /nfs/dbraw/zinc/25/24/33/171252433.db2.gz WTOLLZFGJOHADL-DOMZBBRYSA-N 1 1 268.832 3.577 10 0 CHAEMO CCN(CC)CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000020562270 171252464 /nfs/dbraw/zinc/25/24/64/171252464.db2.gz MQHLCMCOSAFKJN-LLVKDONJSA-N 1 1 289.250 3.986 10 0 CHAEMO CCCC[N@@H+](C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020567067 171255346 /nfs/dbraw/zinc/25/53/46/171255346.db2.gz GLCHUXIKNUOCHA-INIZCTEOSA-N 1 1 262.441 3.716 10 0 CHAEMO CCCCN(C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020567067 171255348 /nfs/dbraw/zinc/25/53/48/171255348.db2.gz GLCHUXIKNUOCHA-INIZCTEOSA-N 1 1 262.441 3.716 10 0 CHAEMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000020595843 171264406 /nfs/dbraw/zinc/26/44/06/171264406.db2.gz LJOMTNZZITYZCQ-LJQANCHMSA-N 1 1 280.415 3.990 10 0 CHAEMO Cc1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595941 171264537 /nfs/dbraw/zinc/26/45/37/171264537.db2.gz IEUMFIFJJVMKNA-QGZVFWFLSA-N 1 1 266.388 3.681 10 0 CHAEMO CCCOc1ccc(CNCC[NH+](CC)CC)cc1Cl ZINC000020967401 171281961 /nfs/dbraw/zinc/28/19/61/171281961.db2.gz QTPLYMKTEBHIMV-UHFFFAOYSA-N 1 1 298.858 3.560 10 0 CHAEMO CCCOc1ccc(Cl)cc1C[NH2+]CCN(CC)CC ZINC000020967786 171283005 /nfs/dbraw/zinc/28/30/05/171283005.db2.gz LXCUHSXVLWISFX-UHFFFAOYSA-N 1 1 298.858 3.560 10 0 CHAEMO CCN(CC)[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021011462 171287272 /nfs/dbraw/zinc/28/72/72/171287272.db2.gz HCOJJWJRCZKJNJ-CVEARBPZSA-N 1 1 254.462 3.939 10 0 CHAEMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000021029018 171291770 /nfs/dbraw/zinc/29/17/70/171291770.db2.gz WJSBUGDVWQXRIA-QGZVFWFLSA-N 1 1 274.452 3.632 10 0 CHAEMO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000021047090 171294599 /nfs/dbraw/zinc/29/45/99/171294599.db2.gz QTACKTQGHNRGKW-KSZLIROESA-N 1 1 280.500 3.913 10 0 CHAEMO CCc1ccc([C@@H](N)C[N@H+](CC)C2CCCCC2)cc1 ZINC000021499935 171304650 /nfs/dbraw/zinc/30/46/50/171304650.db2.gz MJXVWVUWSKVCLA-SFHVURJKSA-N 1 1 274.452 3.903 10 0 CHAEMO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000021501423 171305388 /nfs/dbraw/zinc/30/53/88/171305388.db2.gz HUIKTDDMKMZFBL-JYJNAYRXSA-N 1 1 268.489 3.625 10 0 CHAEMO Cc1ccc([C@@H](N)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000021804381 171326704 /nfs/dbraw/zinc/32/67/04/171326704.db2.gz XAKOYGRILGAVHS-KRWDZBQOSA-N 1 1 260.425 3.568 10 0 CHAEMO C[C@@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000022209555 171373025 /nfs/dbraw/zinc/37/30/25/171373025.db2.gz PEEXWZIMIXANFD-RISCZKNCSA-N 1 1 286.341 3.580 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000022209555 171373026 /nfs/dbraw/zinc/37/30/26/171373026.db2.gz PEEXWZIMIXANFD-RISCZKNCSA-N 1 1 286.341 3.580 10 0 CHAEMO C[C@H](Nc1cc(Cl)ccc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000035056614 171959307 /nfs/dbraw/zinc/95/93/07/171959307.db2.gz JLSFCUWFNKVEIV-QWRGUYRKSA-N 1 1 270.779 3.621 10 0 CHAEMO CC(C)c1ccc([C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000035206610 172050639 /nfs/dbraw/zinc/05/06/39/172050639.db2.gz GCZQQVBFVBQVGG-IBGZPJMESA-N 1 1 282.431 3.942 10 0 CHAEMO CC(C)c1ccc([C@@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000035206610 172050642 /nfs/dbraw/zinc/05/06/42/172050642.db2.gz GCZQQVBFVBQVGG-IBGZPJMESA-N 1 1 282.431 3.942 10 0 CHAEMO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+](C)C1CCCCC1 ZINC000035219786 172060997 /nfs/dbraw/zinc/06/09/97/172060997.db2.gz YCXBKAJKCLKQHJ-QZTJIDSGSA-N 1 1 274.452 3.976 10 0 CHAEMO COC(=O)c1occc1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000035223058 172067345 /nfs/dbraw/zinc/06/73/45/172067345.db2.gz PDBDKXZWJCLAED-CYBMUJFWSA-N 1 1 287.359 3.534 10 0 CHAEMO CC(C)[C@@H](CN[C@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000035286238 172104400 /nfs/dbraw/zinc/10/44/00/172104400.db2.gz ICXIZNFRECTXCQ-GHMZBOCLSA-N 1 1 274.861 3.638 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@](CN)([N@H+](C)Cc2cccs2)C1 ZINC000035717215 172371116 /nfs/dbraw/zinc/37/11/16/172371116.db2.gz WGICFRHCUJGLFN-CZUORRHYSA-N 1 1 280.481 3.724 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@](CN)([N@@H+](C)Cc2cccs2)C1 ZINC000035717215 172371117 /nfs/dbraw/zinc/37/11/17/172371117.db2.gz WGICFRHCUJGLFN-CZUORRHYSA-N 1 1 280.481 3.724 10 0 CHAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2cc(C)ccc2F)C1 ZINC000037221889 173042018 /nfs/dbraw/zinc/04/20/18/173042018.db2.gz VSPHTCUZLFYJFO-KGLIPLIRSA-N 1 1 264.388 3.666 10 0 CHAEMO Cc1ccc(N[C@@H](C)[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000037221877 173042623 /nfs/dbraw/zinc/04/26/23/173042623.db2.gz UMSQJDHIEIBVFD-QWHCGFSZSA-N 1 1 266.816 3.791 10 0 CHAEMO CCc1ccc([C@H](N)[C@H](C)[N@H+](CC)[C@@H](C)CC)cc1 ZINC000037223843 173045019 /nfs/dbraw/zinc/04/50/19/173045019.db2.gz YVUKFKJXKRJJNW-GRDNDAEWSA-N 1 1 262.441 3.758 10 0 CHAEMO CCC[N@@H+](CC(=O)c1cc2ccccc2o1)C(C)C ZINC000037335147 173135915 /nfs/dbraw/zinc/13/59/15/173135915.db2.gz QZJDZZCLFHXIGF-UHFFFAOYSA-N 1 1 259.349 3.736 10 0 CHAEMO CC(C)C[N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424890 173199340 /nfs/dbraw/zinc/19/93/40/173199340.db2.gz KMJXOMDAQVRYAU-ZDUSSCGKSA-N 1 1 275.223 3.581 10 0 CHAEMO CC(C)C[N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424890 173199341 /nfs/dbraw/zinc/19/93/41/173199341.db2.gz KMJXOMDAQVRYAU-ZDUSSCGKSA-N 1 1 275.223 3.581 10 0 CHAEMO [NH3+][C@H](c1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 ZINC000038036747 174036141 /nfs/dbraw/zinc/03/61/41/174036141.db2.gz YRJSDWKXNNIWKK-ZDUSSCGKSA-N 1 1 263.772 3.796 10 0 CHAEMO CCCCCC[C@@](C)([NH2+][C@H](C)CC)C(=O)OCC ZINC000038067939 174080073 /nfs/dbraw/zinc/08/00/73/174080073.db2.gz FOUWBTDIIWOUGG-UKRRQHHQSA-N 1 1 257.418 3.667 10 0 CHAEMO CC(C)c1ccc([C@@H](C[NH3+])N2CCCCCC2)cc1 ZINC000039142614 174164105 /nfs/dbraw/zinc/16/41/05/174164105.db2.gz YVEJUYCIIDSIIN-QGZVFWFLSA-N 1 1 260.425 3.686 10 0 CHAEMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C)c3ccccc32)C[C@@]1(C)C[NH3+] ZINC000312578678 260157828 /nfs/dbraw/zinc/15/78/28/260157828.db2.gz CFUMJDVGBYUSCA-KJWYOANISA-N 1 1 272.436 3.542 10 0 CHAEMO CC1CCC(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000312686901 260190918 /nfs/dbraw/zinc/19/09/18/260190918.db2.gz DRHJTAIAJYKOKY-YXYCDRMUSA-N 1 1 279.468 3.828 10 0 CHAEMO Cc1cccc([C@@H](C)[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000173705688 261168789 /nfs/dbraw/zinc/16/87/89/261168789.db2.gz LDKCKULMBBVUEV-OAHLLOKOSA-N 1 1 297.446 3.971 10 0 CHAEMO Cc1cccc([C@@H](C)[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000173705688 261168790 /nfs/dbraw/zinc/16/87/90/261168790.db2.gz LDKCKULMBBVUEV-OAHLLOKOSA-N 1 1 297.446 3.971 10 0 CHAEMO Cc1cnn(CCCCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000104099596 261290568 /nfs/dbraw/zinc/29/05/68/261290568.db2.gz SPVJLEBAYLVOKO-UHFFFAOYSA-N 1 1 289.398 3.633 10 0 CHAEMO CCc1nccn1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000106212094 261322965 /nfs/dbraw/zinc/32/29/65/261322965.db2.gz YSAJOQBJIQYWKO-INIZCTEOSA-N 1 1 275.440 3.663 10 0 CHAEMO COc1cccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120423294 262194920 /nfs/dbraw/zinc/19/49/20/262194920.db2.gz BJYIBGHREVFTAS-DNVCBOLYSA-N 1 1 298.430 3.649 10 0 CHAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000094826917 265259988 /nfs/dbraw/zinc/25/99/88/265259988.db2.gz IOUARYFPYTXHGQ-WBMJQRKESA-N 1 1 284.394 3.592 10 0 CHAEMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116297285 267137801 /nfs/dbraw/zinc/13/78/01/267137801.db2.gz VGQGYXBUHNFILD-GDBMZVCRSA-N 1 1 298.386 3.752 10 0 CHAEMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116297285 267137806 /nfs/dbraw/zinc/13/78/06/267137806.db2.gz VGQGYXBUHNFILD-GDBMZVCRSA-N 1 1 298.386 3.752 10 0 CHAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000116292645 267138130 /nfs/dbraw/zinc/13/81/30/267138130.db2.gz MIBLOUXPVAFBFD-KRWDZBQOSA-N 1 1 293.370 3.802 10 0 CHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1C ZINC000122767038 267923601 /nfs/dbraw/zinc/92/36/01/267923601.db2.gz VEPSWTCKNJZQGU-SFHVURJKSA-N 1 1 297.446 3.991 10 0 CHAEMO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122766083 267923940 /nfs/dbraw/zinc/92/39/40/267923940.db2.gz AJTXLFDFVXCXDP-AWEZNQCLSA-N 1 1 289.448 3.744 10 0 CHAEMO Cc1nnc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)s1 ZINC000273287128 327898929 /nfs/dbraw/zinc/89/89/29/327898929.db2.gz MAKIYKUWTADXOR-HNNXBMFYSA-N 1 1 287.432 3.650 10 0 CHAEMO C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856221 328380420 /nfs/dbraw/zinc/38/04/20/328380420.db2.gz LGLQMRLJQQDCEN-CJNGLKHVSA-N 1 1 280.843 3.865 10 0 CHAEMO C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856221 328380421 /nfs/dbraw/zinc/38/04/21/328380421.db2.gz LGLQMRLJQQDCEN-CJNGLKHVSA-N 1 1 280.843 3.865 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)c1 ZINC000171532303 329077117 /nfs/dbraw/zinc/07/71/17/329077117.db2.gz ISRUSAZXQSYPJR-GFCCVEGCSA-N 1 1 295.839 3.744 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)c1 ZINC000171532303 329077118 /nfs/dbraw/zinc/07/71/18/329077118.db2.gz ISRUSAZXQSYPJR-GFCCVEGCSA-N 1 1 295.839 3.744 10 0 CHAEMO Cc1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c(C)s1 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C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1nc2ccccc2o1 ZINC000182435555 329239633 /nfs/dbraw/zinc/23/96/33/329239633.db2.gz KZDMLDKVYLCIHB-LBPRGKRZSA-N 1 1 293.370 3.946 10 0 CHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000246268607 329810854 /nfs/dbraw/zinc/81/08/54/329810854.db2.gz AICWNLBDXINDAF-KCXAZCMYSA-N 1 1 296.418 3.568 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000311332375 333067347 /nfs/dbraw/zinc/06/73/47/333067347.db2.gz IJTKRMVJOKLECI-ZACQAIPSSA-N 1 1 263.425 3.502 10 0 CHAEMO Fc1cccc(CCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000182876672 333118049 /nfs/dbraw/zinc/11/80/49/333118049.db2.gz OZOCAXBDOFJNFC-KRWDZBQOSA-N 1 1 287.382 3.709 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccc(F)cc1Cl)CC2 ZINC000220404464 333166046 /nfs/dbraw/zinc/16/60/46/333166046.db2.gz LSOVSZIYCKDTNR-XJKSGUPXSA-N 1 1 297.801 3.606 10 0 CHAEMO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245946155 334225101 /nfs/dbraw/zinc/22/51/01/334225101.db2.gz 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CC(C)[C@H](C)[N@@H+](C)C1(CN)CCC(C(C)C)CC1 ZINC000054557047 519811782 /nfs/dbraw/zinc/81/17/82/519811782.db2.gz VVOJTSPZWJGFPY-FHERZECASA-N 1 1 254.462 3.506 10 0 CHAEMO CCCCCC[N@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062668226 520078006 /nfs/dbraw/zinc/07/80/06/520078006.db2.gz UZAMMEPHESQTNX-QGZVFWFLSA-N 1 1 274.452 3.992 10 0 CHAEMO CCCCCCN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062668226 520078008 /nfs/dbraw/zinc/07/80/08/520078008.db2.gz UZAMMEPHESQTNX-QGZVFWFLSA-N 1 1 274.452 3.992 10 0 CHAEMO CCCCCC[N@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000062657665 520079934 /nfs/dbraw/zinc/07/99/34/520079934.db2.gz CCAIXVCFJCARKV-QGZVFWFLSA-N 1 1 260.425 3.603 10 0 CHAEMO CCC[C@@H](NCCC[NH+]1CCCC1)c1cccs1 ZINC000049544092 520773345 /nfs/dbraw/zinc/77/33/45/520773345.db2.gz ITDSPWNGVNZDQK-CQSZACIVSA-N 1 1 266.454 3.665 10 0 CHAEMO CCC[C@@H]([NH2+]CCCN1CCCC1)c1cccs1 ZINC000049544092 520773352 /nfs/dbraw/zinc/77/33/52/520773352.db2.gz ITDSPWNGVNZDQK-CQSZACIVSA-N 1 1 266.454 3.665 10 0 CHAEMO CC1CC[NH+](Cc2c3ccccc3sc2CN)CC1 ZINC000052377046 521021965 /nfs/dbraw/zinc/02/19/65/521021965.db2.gz RYVHGMGPQFTPHD-UHFFFAOYSA-N 1 1 274.433 3.592 10 0 CHAEMO CCC[N@@H+](C(C)C)[C@H](CC(N)=S)c1ccccc1 ZINC000055024614 521453066 /nfs/dbraw/zinc/45/30/66/521453066.db2.gz IPADGLBHWQUINN-CQSZACIVSA-N 1 1 264.438 3.524 10 0 CHAEMO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C)C1)c1cccs1 ZINC000049529332 522735676 /nfs/dbraw/zinc/73/56/76/522735676.db2.gz RRQMZSLJLZZCED-MCIONIFRSA-N 1 1 266.454 3.519 10 0 CHAEMO CC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558805 523265393 /nfs/dbraw/zinc/26/53/93/523265393.db2.gz NTIJKTSWDBLFQN-QLFBSQMISA-N 1 1 251.414 3.502 10 0 CHAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000068695214 523486728 /nfs/dbraw/zinc/48/67/28/523486728.db2.gz AQCQJADTAWDONU-MSOLQXFVSA-N 1 1 274.452 3.512 10 0 CHAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1Cc1ccc(C)c(C)c1 ZINC000068695214 523486736 /nfs/dbraw/zinc/48/67/36/523486736.db2.gz AQCQJADTAWDONU-MSOLQXFVSA-N 1 1 274.452 3.512 10 0 CHAEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000125923225 523607499 /nfs/dbraw/zinc/60/74/99/523607499.db2.gz CDQFCYMJVCMNSP-HOTGVXAUSA-N 1 1 298.434 3.547 10 0 CHAEMO C[C@H](CCN(C)C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551634 524168851 /nfs/dbraw/zinc/16/88/51/524168851.db2.gz QBQPBRRZTDANJC-QLFBSQMISA-N 1 1 254.462 3.521 10 0 CHAEMO C[C@@H]1CCC[C@@H]([N@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673053 524301864 /nfs/dbraw/zinc/30/18/64/524301864.db2.gz SIXKTXZDCOUARB-KBAYOESNSA-N 1 1 286.463 3.990 10 0 CHAEMO Cc1cc(N)c[nH+]c1Nc1ccc(OC(C)C)cc1 ZINC000052812559 525040547 /nfs/dbraw/zinc/04/05/47/525040547.db2.gz KDKBCCQAFYJCKJ-UHFFFAOYSA-N 1 1 257.337 3.503 10 0 CHAEMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCNc1ccc(Cl)cc1 ZINC000053387177 525200426 /nfs/dbraw/zinc/20/04/26/525200426.db2.gz CFONNJZWTPJROP-QWHCGFSZSA-N 1 1 266.816 3.872 10 0 CHAEMO COc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000120422130 525330813 /nfs/dbraw/zinc/33/08/13/525330813.db2.gz OCSLBUJUMZWSSH-KXBFYZLASA-N 1 1 298.430 3.649 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1ncc[nH]1 ZINC000138912547 525660598 /nfs/dbraw/zinc/66/05/98/525660598.db2.gz ZKCUXHVSWCTGET-RKDXNWHRSA-N 1 1 267.735 3.614 10 0 CHAEMO Cc1ccc(C(=O)[C@@H](C)[N@H+]2CCCC2(C)C)cc1C ZINC000063071783 526239378 /nfs/dbraw/zinc/23/93/78/526239378.db2.gz CIUFTSJAAFNOHU-CQSZACIVSA-N 1 1 259.393 3.749 10 0 CHAEMO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccs2)cs1 ZINC000036915426 527067363 /nfs/dbraw/zinc/06/73/63/527067363.db2.gz NCQJOVRPIIUBNA-DTWKUNHWSA-N 1 1 252.408 3.925 10 0 CHAEMO Cc1ncsc1[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000051016966 527518023 /nfs/dbraw/zinc/51/80/23/527518023.db2.gz UJDMJCYNGRLNIQ-QMMMGPOBSA-N 1 1 268.332 3.581 10 0 CHAEMO Cc1ccccc1C[N@H+](C[C@H](O)c1ccccc1)C(C)C ZINC000036104456 566994662 /nfs/dbraw/zinc/99/46/62/566994662.db2.gz AOOSALPZRPTMBN-IBGZPJMESA-N 1 1 283.415 3.939 10 0 CHAEMO CC[C@H](CO)[N@@H+](C/C(C)=C/c1ccco1)Cc1ccco1 ZINC000055212075 567894246 /nfs/dbraw/zinc/89/42/46/567894246.db2.gz WEELIWZIYYAHGL-YVGNARHYSA-N 1 1 289.375 3.549 10 0 CHAEMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000015006268 567931190 /nfs/dbraw/zinc/93/11/90/567931190.db2.gz UYXWFLLCLPBNSP-AWEZNQCLSA-N 1 1 299.393 3.948 10 0 CHAEMO c1csc([C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)n1 ZINC000195350713 1125564613 /nfs/dbraw/zinc/56/46/13/1125564613.db2.gz CQCPTKACATYGOY-GFCCVEGCSA-N 1 1 299.399 3.664 10 0 CHAEMO Cc1oncc1C[N@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191689301 1125328635 /nfs/dbraw/zinc/32/86/35/1125328635.db2.gz AMPUYARBTLBEJI-GFCCVEGCSA-N 1 1 292.329 3.641 10 0 CHAEMO NCC1([NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000095831197 185029375 /nfs/dbraw/zinc/02/93/75/185029375.db2.gz NTBGQNFPZYOJHR-UHFFFAOYSA-N 1 1 294.442 3.960 10 0 CHAEMO Cc1cc(Nc2ccc(Br)cc2C)[nH+]cc1N ZINC000082586894 178123868 /nfs/dbraw/zinc/12/38/68/178123868.db2.gz VLQZZQCYVGBAKN-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO CC(C)C[N@H+]1CCC[C@]12CCCN(Cc1ccccc1)C2 ZINC000096071383 185086770 /nfs/dbraw/zinc/08/67/70/185086770.db2.gz GALRZBHWJKGDBK-IBGZPJMESA-N 1 1 286.463 3.773 10 0 CHAEMO CCCn1c(N)c(C(C)(C)C)[nH+]c1-c1ccccc1 ZINC000103502740 185846651 /nfs/dbraw/zinc/84/66/51/185846651.db2.gz SUGDWEGCPCQVIF-UHFFFAOYSA-N 1 1 257.381 3.840 10 0 CHAEMO Cc1ccc(C(=O)C[N@@H+]2CCC[C@H](C)CC2)cc1C ZINC000111237604 186373094 /nfs/dbraw/zinc/37/30/94/186373094.db2.gz VOHRUAWRYIDXCA-ZDUSSCGKSA-N 1 1 259.393 3.608 10 0 CHAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000005723398 170133160 /nfs/dbraw/zinc/13/31/60/170133160.db2.gz QUQCIZKURXCKIB-YJBOKZPZSA-N 1 1 251.373 3.922 10 0 CHAEMO Nc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)[nH+]c2c1 ZINC000008553463 170340001 /nfs/dbraw/zinc/34/00/01/170340001.db2.gz AYTHFZRJYOUPGO-UHFFFAOYSA-N 1 1 267.376 3.613 10 0 CHAEMO CCCC[N@@H+](CC)[C@H](CN)c1cccc2ccccc21 ZINC000019992590 170963000 /nfs/dbraw/zinc/96/30/00/170963000.db2.gz YHURWJDYIUGOJT-GOSISDBHSA-N 1 1 270.420 3.962 10 0 CHAEMO Fc1cccc(C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020135933 171023246 /nfs/dbraw/zinc/02/32/46/171023246.db2.gz IJVFNECMXKXMFB-UHFFFAOYSA-N 1 1 272.348 3.725 10 0 CHAEMO C[N@@H+](Cc1ccccc1)Cc1cc(N)ccc1Cl ZINC000020192515 171058164 /nfs/dbraw/zinc/05/81/64/171058164.db2.gz CSHOXPKYNICYHM-UHFFFAOYSA-N 1 1 260.768 3.554 10 0 CHAEMO Cc1cccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)c1 ZINC000020225523 171088346 /nfs/dbraw/zinc/08/83/46/171088346.db2.gz DSKNBADYJJCQMR-QGZVFWFLSA-N 1 1 260.425 3.507 10 0 CHAEMO Cc1cccc([C@@H](C[NH3+])N(C)CC2CCCCC2)c1 ZINC000020225523 171088348 /nfs/dbraw/zinc/08/83/48/171088348.db2.gz DSKNBADYJJCQMR-QGZVFWFLSA-N 1 1 260.425 3.507 10 0 CHAEMO CCOc1cccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)c1 ZINC000020226212 171090348 /nfs/dbraw/zinc/09/03/48/171090348.db2.gz MSZYSVGXDDDTSC-GOSISDBHSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1cccc([C@@H](C[NH3+])N(C)CC2CCCCC2)c1 ZINC000020226212 171090350 /nfs/dbraw/zinc/09/03/50/171090350.db2.gz MSZYSVGXDDDTSC-GOSISDBHSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369205 171167081 /nfs/dbraw/zinc/16/70/81/171167081.db2.gz BIQLFOJIPKPMKL-KRWDZBQOSA-N 1 1 267.328 3.880 10 0 CHAEMO COc1ccc2oc([C@@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389609 171179243 /nfs/dbraw/zinc/17/92/43/171179243.db2.gz CRLQIHALNWBSSD-INIZCTEOSA-N 1 1 271.291 3.629 10 0 CHAEMO CCCCN(CCCC)[C@H](C[NH3+])c1cccs1 ZINC000020484840 171224417 /nfs/dbraw/zinc/22/44/17/171224417.db2.gz GETOCYUNYOFTCU-CYBMUJFWSA-N 1 1 254.443 3.650 10 0 CHAEMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(Cl)cc1 ZINC000020545731 171243636 /nfs/dbraw/zinc/24/36/36/171243636.db2.gz MSAIQHZQABNGHG-HNNXBMFYSA-N 1 1 282.859 3.969 10 0 CHAEMO CC[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000020545731 171243637 /nfs/dbraw/zinc/24/36/37/171243637.db2.gz MSAIQHZQABNGHG-HNNXBMFYSA-N 1 1 282.859 3.969 10 0 CHAEMO CC(C)Oc1ccc([C@@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020553216 171248817 /nfs/dbraw/zinc/24/88/17/171248817.db2.gz HKIMEISSRDVBIU-DAYGRLMNSA-N 1 1 290.451 3.737 10 0 CHAEMO CC(C)Oc1ccc([C@@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020553216 171248818 /nfs/dbraw/zinc/24/88/18/171248818.db2.gz HKIMEISSRDVBIU-DAYGRLMNSA-N 1 1 290.451 3.737 10 0 CHAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1ccncc1 ZINC000020592855 171262468 /nfs/dbraw/zinc/26/24/68/171262468.db2.gz TVAQLSLVLDNOGK-CQSZACIVSA-N 1 1 258.708 3.529 10 0 CHAEMO Fc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020595887 171264337 /nfs/dbraw/zinc/26/43/37/171264337.db2.gz JKPATRPQYZAMTP-OAHLLOKOSA-N 1 1 288.341 3.651 10 0 CHAEMO CC(C)[C@H](CN[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC000021518976 171314850 /nfs/dbraw/zinc/31/48/50/171314850.db2.gz JTMRHKBOXZWLCW-DOMZBBRYSA-N 1 1 268.832 3.577 10 0 CHAEMO CCCc1ccc([C@@H](C)NCC[NH+](CC)CC)cc1 ZINC000021788116 171322966 /nfs/dbraw/zinc/32/29/66/171322966.db2.gz PGZGDZMKHHZQCE-OAHLLOKOSA-N 1 1 262.441 3.632 10 0 CHAEMO Cc1ccc(C)c([C@H]([NH3+])CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000021793749 171324480 /nfs/dbraw/zinc/32/44/80/171324480.db2.gz OIUIGUZYUXJOGA-YQQAZPJKSA-N 1 1 260.425 3.566 10 0 CHAEMO Cc1ccc([C@@H](NCC[NH+](C)C)c2ccccc2)c(C)c1 ZINC000022142065 171355549 /nfs/dbraw/zinc/35/55/49/171355549.db2.gz GKWWUBMZOYDGGL-IBGZPJMESA-N 1 1 282.431 3.544 10 0 CHAEMO CC(C)[N@H+](C)[C@H](CN)c1ccc(SC(F)(F)F)cc1 ZINC000022177499 171371705 /nfs/dbraw/zinc/37/17/05/171371705.db2.gz HHXBFJWEIFZPJH-GFCCVEGCSA-N 1 1 292.370 3.639 10 0 CHAEMO CC(C)[N@@H+](C)[C@H](CN)c1ccc(SC(F)(F)F)cc1 ZINC000022177499 171371706 /nfs/dbraw/zinc/37/17/06/171371706.db2.gz HHXBFJWEIFZPJH-GFCCVEGCSA-N 1 1 292.370 3.639 10 0 CHAEMO CNCC[NH2+]C1(c2cc3ccccc3s2)CCCCC1 ZINC000022936153 171404345 /nfs/dbraw/zinc/40/43/45/171404345.db2.gz BYHRVWUKCOPJNF-UHFFFAOYSA-N 1 1 288.460 3.870 10 0 CHAEMO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@@H+](C)C1CCCCC1 ZINC000035219788 172060902 /nfs/dbraw/zinc/06/09/02/172060902.db2.gz YCXBKAJKCLKQHJ-ZWKOTPCHSA-N 1 1 274.452 3.976 10 0 CHAEMO CCC[NH2+][C@@H](c1ccco1)c1cc(F)ccc1F ZINC000035580026 172275672 /nfs/dbraw/zinc/27/56/72/172275672.db2.gz VJJHZZPFQFTQBG-CQSZACIVSA-N 1 1 251.276 3.647 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cc(F)ccc1F ZINC000035738808 172392427 /nfs/dbraw/zinc/39/24/27/172392427.db2.gz DOLCZTXHBZTWRN-ZJUUUORDSA-N 1 1 251.276 3.970 10 0 CHAEMO Cc1ccc(N[C@@H](C)[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000037221879 173041458 /nfs/dbraw/zinc/04/14/58/173041458.db2.gz UMSQJDHIEIBVFD-STQMWFEESA-N 1 1 266.816 3.791 10 0 CHAEMO CCc1ccc([C@@H](N)[C@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC000037223838 173045036 /nfs/dbraw/zinc/04/50/36/173045036.db2.gz HBSZOGHBUKUVFY-YOEHRIQHSA-N 1 1 262.441 3.615 10 0 CHAEMO CC(C)C[N@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424892 173199362 /nfs/dbraw/zinc/19/93/62/173199362.db2.gz KMJXOMDAQVRYAU-CYBMUJFWSA-N 1 1 275.223 3.581 10 0 CHAEMO CC(C)C[N@@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424892 173199364 /nfs/dbraw/zinc/19/93/64/173199364.db2.gz KMJXOMDAQVRYAU-CYBMUJFWSA-N 1 1 275.223 3.581 10 0 CHAEMO c1ccc(CCCNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000037493948 173233764 /nfs/dbraw/zinc/23/37/64/173233764.db2.gz KVLNHVGHLGUYSL-UHFFFAOYSA-N 1 1 251.333 3.608 10 0 CHAEMO CCCC[C@@H](C)Nc1cccnc1-n1cc[nH+]c1C ZINC000037772522 173704459 /nfs/dbraw/zinc/70/44/59/173704459.db2.gz XJMHBIMLTBJGNH-GFCCVEGCSA-N 1 1 258.369 3.566 10 0 CHAEMO CC[NH+](CC)CCNCc1cc(-c2ccccc2)cs1 ZINC000038030709 174022250 /nfs/dbraw/zinc/02/22/50/174022250.db2.gz GRWMEFJWRZBUKM-UHFFFAOYSA-N 1 1 288.460 3.847 10 0 CHAEMO Nc1cccc2c1CC[N@H+]([C@H]1CCSc3ccccc31)C2 ZINC000038032653 174029299 /nfs/dbraw/zinc/02/92/99/174029299.db2.gz HDTKJCWLKRODQG-KRWDZBQOSA-N 1 1 296.439 3.864 10 0 CHAEMO Cc1ccc(SCC[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032808 174029950 /nfs/dbraw/zinc/02/99/50/174029950.db2.gz VJFMCCLOEQKIOT-UHFFFAOYSA-N 1 1 298.455 3.728 10 0 CHAEMO [NH3+][C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCCCC1 ZINC000038036746 174035973 /nfs/dbraw/zinc/03/59/73/174035973.db2.gz YRJSDWKXNNIWKK-CYBMUJFWSA-N 1 1 263.772 3.796 10 0 CHAEMO Cc1csc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000038091137 174105116 /nfs/dbraw/zinc/10/51/16/174105116.db2.gz QGENJHZTUWZHPO-HNNXBMFYSA-N 1 1 276.380 3.832 10 0 CHAEMO Cc1ccc([C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121713 175143128 /nfs/dbraw/zinc/14/31/28/175143128.db2.gz CIAZBFBNTVVFDO-HLLBOEOZSA-N 1 1 261.409 3.600 10 0 CHAEMO Oc1ccc(Nc2[nH]c3ccc(Cl)cc3[nH+]2)cc1 ZINC000045902949 175386312 /nfs/dbraw/zinc/38/63/12/175386312.db2.gz MSFGYYRPEPXDEP-UHFFFAOYSA-N 1 1 259.696 3.666 10 0 CHAEMO Cc1cc(C)c([C@H](C)Nc2cnccc2C)c(C)[nH+]1 ZINC000071413818 176158940 /nfs/dbraw/zinc/15/89/40/176158940.db2.gz RYQNWGDEWMLHIY-AWEZNQCLSA-N 1 1 255.365 3.883 10 0 CHAEMO C[C@@H](c1ccccc1)[N@@H+](CCN)CC1CCCCC1 ZINC000076671511 177053866 /nfs/dbraw/zinc/05/38/66/177053866.db2.gz ZSSYZPQOTOOIPI-HNNXBMFYSA-N 1 1 260.425 3.589 10 0 CHAEMO C[C@@H](c1ccccc1)N(CC[NH3+])CC1CCCCC1 ZINC000076671511 177053870 /nfs/dbraw/zinc/05/38/70/177053870.db2.gz ZSSYZPQOTOOIPI-HNNXBMFYSA-N 1 1 260.425 3.589 10 0 CHAEMO CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180104531 260093574 /nfs/dbraw/zinc/09/35/74/260093574.db2.gz YPADHFXOSZESHC-YQQQUEKLSA-N 1 1 286.463 3.962 10 0 CHAEMO [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000070148758 260152764 /nfs/dbraw/zinc/15/27/64/260152764.db2.gz ODCYCXGCNUMCMO-QGZVFWFLSA-N 1 1 268.404 3.543 10 0 CHAEMO COc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1OC ZINC000080265829 260179301 /nfs/dbraw/zinc/17/93/01/260179301.db2.gz WMYWSSRZRMRNLS-WDEREUQCSA-N 1 1 292.404 3.572 10 0 CHAEMO CC1CCC(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000312686897 260190930 /nfs/dbraw/zinc/19/09/30/260190930.db2.gz DRHJTAIAJYKOKY-ILEACXBISA-N 1 1 279.468 3.828 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000092195737 260267643 /nfs/dbraw/zinc/26/76/43/260267643.db2.gz RQNRBADSLSLEQT-UWVGGRQHSA-N 1 1 280.293 3.911 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000092195738 260267973 /nfs/dbraw/zinc/26/79/73/260267973.db2.gz RQNRBADSLSLEQT-ZJUUUORDSA-N 1 1 280.293 3.911 10 0 CHAEMO Cc1cc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)no1 ZINC000211744744 260310488 /nfs/dbraw/zinc/31/04/88/260310488.db2.gz KOYZWFBJRCVYOW-ZBEGNZNMSA-N 1 1 256.349 3.711 10 0 CHAEMO CCC(CC)C[N@@H+](CC)Cc1nc(-c2ccoc2)no1 ZINC000105717501 261315583 /nfs/dbraw/zinc/31/55/83/261315583.db2.gz SHJVITBFTXOQSW-UHFFFAOYSA-N 1 1 277.368 3.588 10 0 CHAEMO FC(F)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000301419549 261333977 /nfs/dbraw/zinc/33/39/77/261333977.db2.gz HOBQEQQJJMFCLI-UHFFFAOYSA-N 1 1 287.107 3.674 10 0 CHAEMO COc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290367 267136222 /nfs/dbraw/zinc/13/62/22/267136222.db2.gz FTSKCEWUOBSPCC-CQSZACIVSA-N 1 1 287.359 3.504 10 0 CHAEMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)cc1F ZINC000116298919 267138094 /nfs/dbraw/zinc/13/80/94/267138094.db2.gz DRCOIUKRXKIAPC-CQSZACIVSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1F ZINC000116298919 267138096 /nfs/dbraw/zinc/13/80/96/267138096.db2.gz DRCOIUKRXKIAPC-CQSZACIVSA-N 1 1 263.287 3.895 10 0 CHAEMO COc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116290369 267138192 /nfs/dbraw/zinc/13/81/92/267138192.db2.gz FTSKCEWUOBSPCC-AWEZNQCLSA-N 1 1 287.359 3.504 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)c1 ZINC000171532308 329077252 /nfs/dbraw/zinc/07/72/52/329077252.db2.gz ISRUSAZXQSYPJR-LBPRGKRZSA-N 1 1 295.839 3.744 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)c1 ZINC000171532308 329077253 /nfs/dbraw/zinc/07/72/53/329077253.db2.gz ISRUSAZXQSYPJR-LBPRGKRZSA-N 1 1 295.839 3.744 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)n1 ZINC000171735755 329079750 /nfs/dbraw/zinc/07/97/50/329079750.db2.gz IZUMZDUNEAHKDB-KGLIPLIRSA-N 1 1 262.422 3.740 10 0 CHAEMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172029953 329083497 /nfs/dbraw/zinc/08/34/97/329083497.db2.gz KPTKCZQSTQZYKT-QGZVFWFLSA-N 1 1 293.370 3.868 10 0 CHAEMO CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172271971 329084346 /nfs/dbraw/zinc/08/43/46/329084346.db2.gz KBTLLNWTFIRRRB-SFHVURJKSA-N 1 1 299.418 3.924 10 0 CHAEMO Cc1cccc([C@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000173606031 329149826 /nfs/dbraw/zinc/14/98/26/329149826.db2.gz DNEBHZKUMWPYEW-AWEZNQCLSA-N 1 1 269.392 3.659 10 0 CHAEMO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173656173 329150223 /nfs/dbraw/zinc/15/02/23/329150223.db2.gz ZAUGASWBRCFINN-MAUKXSAKSA-N 1 1 283.419 3.578 10 0 CHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178534782 329198293 /nfs/dbraw/zinc/19/82/93/329198293.db2.gz JFZCQGSGDFXOFI-MRXNPFEDSA-N 1 1 281.359 3.883 10 0 CHAEMO c1ccc2oc([C@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000178999929 329203590 /nfs/dbraw/zinc/20/35/90/329203590.db2.gz NHUWILIVEVTWDY-LBPRGKRZSA-N 1 1 256.349 3.560 10 0 CHAEMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccco2)c(C(C)(C)C)n1 ZINC000180193676 329218374 /nfs/dbraw/zinc/21/83/74/329218374.db2.gz SAHKBLMRBHEWBV-AWEZNQCLSA-N 1 1 287.407 3.648 10 0 CHAEMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593465 329221086 /nfs/dbraw/zinc/22/10/86/329221086.db2.gz IDQYUQCUJNIMHD-KGLIPLIRSA-N 1 1 294.464 3.621 10 0 CHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593465 329221088 /nfs/dbraw/zinc/22/10/88/329221088.db2.gz IDQYUQCUJNIMHD-KGLIPLIRSA-N 1 1 294.464 3.621 10 0 CHAEMO CC/C=C/CC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000184529463 329259724 /nfs/dbraw/zinc/25/97/24/329259724.db2.gz YKHCPTATALDOLE-LQYUOIDQSA-N 1 1 261.413 3.530 10 0 CHAEMO ClC(Cl)(Cl)CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000184696438 329262032 /nfs/dbraw/zinc/26/20/32/329262032.db2.gz SRILZJXWANAJCA-NSHDSACASA-N 1 1 293.625 3.979 10 0 CHAEMO ClC(Cl)(Cl)CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000184696438 329262033 /nfs/dbraw/zinc/26/20/33/329262033.db2.gz SRILZJXWANAJCA-NSHDSACASA-N 1 1 293.625 3.979 10 0 CHAEMO c1coc(-c2ncc(C[NH2+][C@H]3COc4ccccc43)s2)c1 ZINC000193088085 329438684 /nfs/dbraw/zinc/43/86/84/329438684.db2.gz CWSRMPFEDPMCBE-ZDUSSCGKSA-N 1 1 298.367 3.626 10 0 CHAEMO Clc1ccc(C[NH2+][C@H]2COc3ccccc32)s1 ZINC000070070212 329855122 /nfs/dbraw/zinc/85/51/22/329855122.db2.gz MJEKXZFGHXVNPQ-NSHDSACASA-N 1 1 265.765 3.625 10 0 CHAEMO OCCC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000087765529 330374268 /nfs/dbraw/zinc/37/42/68/330374268.db2.gz BRQZTGQGCKQSBM-ZDUSSCGKSA-N 1 1 288.218 3.730 10 0 CHAEMO CCCn1ccc(C[NH2+][C@H](CC)c2nccs2)c1 ZINC000091015880 330397869 /nfs/dbraw/zinc/39/78/69/330397869.db2.gz VFSDGBAHVBZFFJ-CYBMUJFWSA-N 1 1 263.410 3.596 10 0 CHAEMO Cc1ccc2c(c1)[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)CC2 ZINC000163848414 331134584 /nfs/dbraw/zinc/13/45/84/331134584.db2.gz XNHDAEWMODBXKS-VQTJNVASSA-N 1 1 294.442 3.875 10 0 CHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000163948686 331141578 /nfs/dbraw/zinc/14/15/78/331141578.db2.gz WQJUWBWUKRXMEN-CZUORRHYSA-N 1 1 297.801 3.606 10 0 CHAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC000311901568 333074245 /nfs/dbraw/zinc/07/42/45/333074245.db2.gz YFSVWBGZTMFSLP-YESZJQIVSA-N 1 1 265.441 3.582 10 0 CHAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178704081 333076878 /nfs/dbraw/zinc/07/68/78/333076878.db2.gz AIUBQZJUZUBKTQ-SUYBPPKGSA-N 1 1 295.373 3.653 10 0 CHAEMO COc1ccsc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000186228116 333156821 /nfs/dbraw/zinc/15/68/21/333156821.db2.gz YPZDXXIKEVHFCW-ZIAGYGMSSA-N 1 1 296.480 3.528 10 0 CHAEMO COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000186228116 333156822 /nfs/dbraw/zinc/15/68/22/333156822.db2.gz YPZDXXIKEVHFCW-ZIAGYGMSSA-N 1 1 296.480 3.528 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000219823209 333157565 /nfs/dbraw/zinc/15/75/65/333157565.db2.gz VZBRBOIAYCNREY-BBRMVZONSA-N 1 1 297.801 3.606 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000219824116 333157636 /nfs/dbraw/zinc/15/76/36/333157636.db2.gz JVACXMVHWYMFKQ-XJKSGUPXSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000220917648 333170774 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RUZYLIHIMWOZOM-QGZVFWFLSA-N 1 1 291.435 3.519 10 0 CHAEMO Nc1c(C2CCCCC2)[nH+]c2c(Br)cccn12 ZINC000082696214 178193727 /nfs/dbraw/zinc/19/37/27/178193727.db2.gz FDYBKBDQXNRDPL-UHFFFAOYSA-N 1 1 294.196 3.727 10 0 CHAEMO CC(C)(C)c1ccc([C@@H]([NH3+])CN2CCCCCC2)cc1 ZINC000019982369 184535322 /nfs/dbraw/zinc/53/53/22/184535322.db2.gz ZUOWEKXQDDUOIJ-KRWDZBQOSA-N 1 1 274.452 3.860 10 0 CHAEMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000005722496 170133140 /nfs/dbraw/zinc/13/31/40/170133140.db2.gz VWTWHSKDUBSPQE-SFHVURJKSA-N 1 1 251.373 3.850 10 0 CHAEMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3 ZINC000005833961 170145492 /nfs/dbraw/zinc/14/54/92/170145492.db2.gz WZJSIHGOLMMBAL-INIZCTEOSA-N 1 1 279.383 3.925 10 0 in-vitro CHAEMO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129354 171017315 /nfs/dbraw/zinc/01/73/15/171017315.db2.gz CAMYMHRMZJKSBW-RDTXWAMCSA-N 1 1 286.394 3.779 10 0 CHAEMO CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(N)c1 ZINC000020192461 171058025 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Cc1[nH]nc(CCC[N@H+]2CCCC[C@H]2c2cccnc2)c1C ZINC000020868212 171276877 /nfs/dbraw/zinc/27/68/77/171276877.db2.gz BNNFWJNVWXBBIK-SFHVURJKSA-N 1 1 298.434 3.581 10 0 CHAEMO Clc1nc2ccccc2cc1C[NH2+]Cc1ccco1 ZINC000020967206 171282166 /nfs/dbraw/zinc/28/21/66/171282166.db2.gz ZKAOFFWQUOVRLZ-UHFFFAOYSA-N 1 1 272.735 3.771 10 0 CHAEMO Cc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000021058333 171296226 /nfs/dbraw/zinc/29/62/26/171296226.db2.gz HUSIHZYHMPNIIL-HLLBOEOZSA-N 1 1 260.425 3.566 10 0 CHAEMO Cc1ccc([C@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)cc1C ZINC000021058333 171296227 /nfs/dbraw/zinc/29/62/27/171296227.db2.gz HUSIHZYHMPNIIL-HLLBOEOZSA-N 1 1 260.425 3.566 10 0 CHAEMO CCc1ccc([C@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000021058105 171296556 /nfs/dbraw/zinc/29/65/56/171296556.db2.gz JZJAGVGZNPPOJZ-QGZVFWFLSA-N 1 1 260.425 3.513 10 0 CHAEMO NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCCCCC1 ZINC000021518601 171314682 /nfs/dbraw/zinc/31/46/82/171314682.db2.gz ZPWWJMYOGDWPSR-HNNXBMFYSA-N 1 1 266.816 3.606 10 0 CHAEMO CC(C)[C@H](CN[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC000021518974 171314798 /nfs/dbraw/zinc/31/47/98/171314798.db2.gz JTMRHKBOXZWLCW-WFASDCNBSA-N 1 1 268.832 3.577 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+]1CCc2ccccc2C1 ZINC000021814386 171331621 /nfs/dbraw/zinc/33/16/21/171331621.db2.gz HSSWDHIDKXJORU-MAUKXSAKSA-N 1 1 274.452 3.588 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@H+]1CCc2ccccc2C1 ZINC000021814386 171331622 /nfs/dbraw/zinc/33/16/22/171331622.db2.gz HSSWDHIDKXJORU-MAUKXSAKSA-N 1 1 274.452 3.588 10 0 CHAEMO CCC1CCC(CN)([N@H+](C)Cc2ccc(C)cc2)CC1 ZINC000021820055 171334087 /nfs/dbraw/zinc/33/40/87/171334087.db2.gz NOSNJUYEBHFTGR-UHFFFAOYSA-N 1 1 274.452 3.725 10 0 CHAEMO CCC1CCC(CN)([N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC000021820055 171334089 /nfs/dbraw/zinc/33/40/89/171334089.db2.gz NOSNJUYEBHFTGR-UHFFFAOYSA-N 1 1 274.452 3.725 10 0 CHAEMO CCC1CCC(C[NH3+])(N(C)Cc2ccc(C)cc2)CC1 ZINC000021820055 171334090 /nfs/dbraw/zinc/33/40/90/171334090.db2.gz NOSNJUYEBHFTGR-UHFFFAOYSA-N 1 1 274.452 3.725 10 0 CHAEMO Cc1cc(C)c([C@@H](N)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206604 172050739 /nfs/dbraw/zinc/05/07/39/172050739.db2.gz IRSIJKSQUXLQKU-SFHVURJKSA-N 1 1 282.431 3.744 10 0 CHAEMO Cc1cc(C)c([C@@H](N)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206604 172050742 /nfs/dbraw/zinc/05/07/42/172050742.db2.gz IRSIJKSQUXLQKU-SFHVURJKSA-N 1 1 282.431 3.744 10 0 CHAEMO C[NH2+][C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000035468614 172217459 /nfs/dbraw/zinc/21/74/59/172217459.db2.gz DVOXBDPOGPAMSG-AWEZNQCLSA-N 1 1 267.706 3.927 10 0 CHAEMO C[NH2+][C@@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035491629 172225666 /nfs/dbraw/zinc/22/56/66/172225666.db2.gz UQGPBUIYVVTLPK-CQSZACIVSA-N 1 1 267.706 3.927 10 0 CHAEMO CC[NH2+][C@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035544515 172252407 /nfs/dbraw/zinc/25/24/07/172252407.db2.gz NOJMLJQFZLNLOX-CYBMUJFWSA-N 1 1 271.307 3.864 10 0 CHAEMO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(F)cc1F ZINC000035547238 172255309 /nfs/dbraw/zinc/25/53/09/172255309.db2.gz OBFPOVZKENWCKE-CQSZACIVSA-N 1 1 251.276 3.565 10 0 CHAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)c(OC)c1 ZINC000035738769 172392321 /nfs/dbraw/zinc/39/23/21/172392321.db2.gz KEGQTEOCAJUEDO-NEPJUHHUSA-N 1 1 275.348 3.709 10 0 CHAEMO Cc1cccc(C[N@H+](C[C@@H](O)c2ccccc2)C(C)C)c1 ZINC000036098700 172439466 /nfs/dbraw/zinc/43/94/66/172439466.db2.gz PFHJQVHKCZMNFR-LJQANCHMSA-N 1 1 283.415 3.939 10 0 CHAEMO CCc1ccc([C@H](N)[C@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC000037223837 173044433 /nfs/dbraw/zinc/04/44/33/173044433.db2.gz HBSZOGHBUKUVFY-WMLDXEAASA-N 1 1 262.441 3.615 10 0 CHAEMO CC(C)[C@@H]([NH2+]CCCN1CCCCC1)c1cccs1 ZINC000037229286 173048624 /nfs/dbraw/zinc/04/86/24/173048624.db2.gz ARMXQIOSEVJPSQ-MRXNPFEDSA-N 1 1 280.481 3.911 10 0 CHAEMO CSc1ccc(C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000037333495 173134561 /nfs/dbraw/zinc/13/45/61/173134561.db2.gz ATJNUGOKJOHJLU-BETUJISGSA-N 1 1 277.433 3.854 10 0 CHAEMO Cc1ccc(C)c(C(=O)[C@@H](C)[N@@H+](C)C2CCCC2)c1 ZINC000037334790 173135135 /nfs/dbraw/zinc/13/51/35/173135135.db2.gz IVDUDMPRBOBHMK-CQSZACIVSA-N 1 1 259.393 3.749 10 0 CHAEMO CC(C)(C)c1nc2ccc([C@H]([NH3+])c3ccccc3)cc2[nH]1 ZINC000037368451 173157720 /nfs/dbraw/zinc/15/77/20/173157720.db2.gz MLVBAQBUPAPISG-MRXNPFEDSA-N 1 1 279.387 3.909 10 0 CHAEMO Cc1cc(C)c([C@H](C)NC[C@@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000038029109 174019405 /nfs/dbraw/zinc/01/94/05/174019405.db2.gz WSDJASGNWUBRFU-CVEARBPZSA-N 1 1 289.467 3.532 10 0 CHAEMO Cc1ccccc1[C@@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032459 174029281 /nfs/dbraw/zinc/02/92/81/174029281.db2.gz AGKUVSKFPVXOBK-CQSZACIVSA-N 1 1 266.388 3.697 10 0 CHAEMO CCCC1CCC([NH2+][C@H](C)CC)(C(=O)OCC)CC1 ZINC000038067485 174078929 /nfs/dbraw/zinc/07/89/29/174078929.db2.gz CAIUILQGDPQRSF-VQCLRJIVSA-N 1 1 269.429 3.667 10 0 CHAEMO CC(C)Oc1ccc([C@@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789151 174173579 /nfs/dbraw/zinc/17/35/79/174173579.db2.gz RCKHMPKPWRLGLM-RVKKMQEKSA-N 1 1 290.451 3.737 10 0 CHAEMO CC(C)Oc1ccc([C@@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789151 174173581 /nfs/dbraw/zinc/17/35/81/174173581.db2.gz RCKHMPKPWRLGLM-RVKKMQEKSA-N 1 1 290.451 3.737 10 0 CHAEMO CCCCc1ccc([C@@H](CN)[NH+]2CCCCC2)cc1 ZINC000071587064 176214040 /nfs/dbraw/zinc/21/40/40/176214040.db2.gz NUEUHIWRUWGIMM-QGZVFWFLSA-N 1 1 260.425 3.515 10 0 CHAEMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171646000 335073326 /nfs/dbraw/zinc/07/33/26/335073326.db2.gz MCSZQQNTNGTOJK-KRWDZBQOSA-N 1 1 295.430 3.632 10 0 CHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000114201744 228112579 /nfs/dbraw/zinc/11/25/79/228112579.db2.gz APXBUWWJOBXRSV-KRWDZBQOSA-N 1 1 269.392 3.570 10 0 CHAEMO CC1CCC([N@@H+](C)Cc2cccc3c2NCC3)CC1 ZINC000130510047 260396156 /nfs/dbraw/zinc/39/61/56/260396156.db2.gz YAOJBFGLKUBXNN-UHFFFAOYSA-N 1 1 258.409 3.665 10 0 CHAEMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130512562 260396240 /nfs/dbraw/zinc/39/62/40/260396240.db2.gz FZKCPKJMWBNAER-CZUORRHYSA-N 1 1 258.409 3.665 10 0 CHAEMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCS[C@@H](C)C1 ZINC000152256255 261062128 /nfs/dbraw/zinc/06/21/28/261062128.db2.gz YBICLFNYLHWGCD-STQMWFEESA-N 1 1 288.416 3.840 10 0 CHAEMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCS[C@@H](C)C1 ZINC000152256255 261062129 /nfs/dbraw/zinc/06/21/29/261062129.db2.gz YBICLFNYLHWGCD-STQMWFEESA-N 1 1 288.416 3.840 10 0 CHAEMO Cc1ccccc1[C@@H](NC1CC[NH+](C)CC1)c1ccccc1 ZINC000175171509 261209932 /nfs/dbraw/zinc/20/99/32/261209932.db2.gz FTCJDZNCVUGWGZ-FQEVSTJZSA-N 1 1 294.442 3.768 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCCc3ccccc3C)C2)c1 ZINC000175906459 261252096 /nfs/dbraw/zinc/25/20/96/261252096.db2.gz HGUYQSCNSLWXEB-LJQANCHMSA-N 1 1 297.446 3.770 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000106225663 261323825 /nfs/dbraw/zinc/32/38/25/261323825.db2.gz ZIINSMYQWIMMBP-OAHLLOKOSA-N 1 1 289.810 3.682 10 0 CHAEMO COc1ccc([C@@H](C)Nc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000301086817 261329927 /nfs/dbraw/zinc/32/99/27/261329927.db2.gz MDHAEKHNHHOUCJ-LLVKDONJSA-N 1 1 297.358 3.753 10 0 CHAEMO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624327 261356039 /nfs/dbraw/zinc/35/60/39/261356039.db2.gz HKUPWYPCJMLEBS-ZIAGYGMSSA-N 1 1 290.798 3.507 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000183961299 262002898 /nfs/dbraw/zinc/00/28/98/262002898.db2.gz JRTIZMSWSMHCKD-WBVHZDCISA-N 1 1 295.373 3.751 10 0 CHAEMO COc1ccccc1[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000120421485 262194805 /nfs/dbraw/zinc/19/48/05/262194805.db2.gz ONIOWKCRVIAHAW-CRAIPNDOSA-N 1 1 298.430 3.649 10 0 CHAEMO CCCC[C@@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270155 262342559 /nfs/dbraw/zinc/34/25/59/262342559.db2.gz QFCNPLGUIQEJBO-DLUQRMLASA-N 1 1 289.423 3.727 10 0 CHAEMO Clc1ncc(C[N@@H+]2C[C@H]3CCCCC[C@H]32)s1 ZINC000363037929 267074002 /nfs/dbraw/zinc/07/40/02/267074002.db2.gz PYRYKPMMJISWBY-MWLCHTKSSA-N 1 1 256.802 3.561 10 0 CHAEMO Clc1ncc(C[N@H+]2C[C@H]3CCCCC[C@H]32)s1 ZINC000363037929 267074006 /nfs/dbraw/zinc/07/40/06/267074006.db2.gz PYRYKPMMJISWBY-MWLCHTKSSA-N 1 1 256.802 3.561 10 0 CHAEMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000123214195 268015503 /nfs/dbraw/zinc/01/55/03/268015503.db2.gz PIKRXFGALYVOKM-INIZCTEOSA-N 1 1 285.343 3.542 10 0 CHAEMO Clc1ncccc1C[NH+]1CCC(c2nccs2)CC1 ZINC000377521320 329017538 /nfs/dbraw/zinc/01/75/38/329017538.db2.gz ZOOITBXWECJCTJ-UHFFFAOYSA-N 1 1 293.823 3.571 10 0 CHAEMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000172868502 329139531 /nfs/dbraw/zinc/13/95/31/329139531.db2.gz PNWFMCSHSZYFES-OAHLLOKOSA-N 1 1 286.375 3.719 10 0 CHAEMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000172868502 329139532 /nfs/dbraw/zinc/13/95/32/329139532.db2.gz PNWFMCSHSZYFES-OAHLLOKOSA-N 1 1 286.375 3.719 10 0 CHAEMO Cc1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c(C)s1 ZINC000178323896 329198887 /nfs/dbraw/zinc/19/88/87/329198887.db2.gz TYEDFBJWYKLACF-MRXNPFEDSA-N 1 1 289.448 3.534 10 0 CHAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000180136194 329213352 /nfs/dbraw/zinc/21/33/52/329213352.db2.gz GPYMWXDYYYPZNX-SWLSCSKDSA-N 1 1 263.429 3.610 10 0 CHAEMO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1C ZINC000130851736 329628994 /nfs/dbraw/zinc/62/89/94/329628994.db2.gz BCWOVARPKKVWBS-HUUCEWRRSA-N 1 1 298.434 3.643 10 0 CHAEMO Fc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1Br ZINC000533081726 330331743 /nfs/dbraw/zinc/33/17/43/330331743.db2.gz QORJVQIPEJJORF-MFKMUULPSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)cc1Br ZINC000533081726 330331744 /nfs/dbraw/zinc/33/17/44/330331744.db2.gz QORJVQIPEJJORF-MFKMUULPSA-N 1 1 284.172 3.573 10 0 CHAEMO C[C@H](C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000116878241 330361221 /nfs/dbraw/zinc/36/12/21/330361221.db2.gz FVNUEDUDGRJIID-IAGOWNOFSA-N 1 1 295.430 3.619 10 0 CHAEMO CCc1csc([C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000195377436 331172741 /nfs/dbraw/zinc/17/27/41/331172741.db2.gz KIWYECZKXHZADK-LBPRGKRZSA-N 1 1 252.427 3.541 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450957 333031700 /nfs/dbraw/zinc/03/17/00/333031700.db2.gz NSNYWYJZYPDOSM-RDJZCZTQSA-N 1 1 293.838 3.510 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000311332372 333067337 /nfs/dbraw/zinc/06/73/37/333067337.db2.gz IJTKRMVJOKLECI-BBWFWOEESA-N 1 1 263.425 3.502 10 0 CHAEMO CCC[C@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000187669414 333173718 /nfs/dbraw/zinc/17/37/18/333173718.db2.gz GLPJRBDCAFTOFI-STQMWFEESA-N 1 1 252.427 3.820 10 0 CHAEMO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1Cl ZINC000222693457 333198709 /nfs/dbraw/zinc/19/87/09/333198709.db2.gz JAMFZWRALFQZTC-QWRGUYRKSA-N 1 1 287.234 3.738 10 0 CHAEMO C[C@H](NC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1Cl ZINC000222693457 333198710 /nfs/dbraw/zinc/19/87/10/333198710.db2.gz JAMFZWRALFQZTC-QWRGUYRKSA-N 1 1 287.234 3.738 10 0 CHAEMO C[C@@H](NC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1Cl ZINC000222698446 333199057 /nfs/dbraw/zinc/19/90/57/333199057.db2.gz 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334348922 /nfs/dbraw/zinc/34/89/22/334348922.db2.gz NMMNPHPFCPUCTR-PMPSAXMXSA-N 1 1 266.473 3.523 10 0 CHAEMO CCC(CC)[N@H+](C)Cc1c2ccccc2oc1CN ZINC000052478067 521541643 /nfs/dbraw/zinc/54/16/43/521541643.db2.gz IOELRGDCVDVXQB-UHFFFAOYSA-N 1 1 260.381 3.512 10 0 CHAEMO CCC(CC)[N@@H+](C)Cc1c2ccccc2oc1CN ZINC000052478067 521541655 /nfs/dbraw/zinc/54/16/55/521541655.db2.gz IOELRGDCVDVXQB-UHFFFAOYSA-N 1 1 260.381 3.512 10 0 CHAEMO CC(C)C[C@H]1C[N@@H+](CC(C)C)[C@H](c2ccccc2)CN1 ZINC000062668297 519414869 /nfs/dbraw/zinc/41/48/69/519414869.db2.gz AXDYBHDXOIMTMK-ROUUACIJSA-N 1 1 274.452 3.704 10 0 CHAEMO CC(C)C[C@H]1CN(CC(C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000062668297 519414874 /nfs/dbraw/zinc/41/48/74/519414874.db2.gz AXDYBHDXOIMTMK-ROUUACIJSA-N 1 1 274.452 3.704 10 0 CHAEMO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@H+]1CCc1ccccc1 ZINC000062705173 519415936 /nfs/dbraw/zinc/41/59/36/519415936.db2.gz DEGZBUZTPRTAEV-RBUKOAKNSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1ccccc1 ZINC000062705173 519415942 /nfs/dbraw/zinc/41/59/42/519415942.db2.gz DEGZBUZTPRTAEV-RBUKOAKNSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000151353226 519692460 /nfs/dbraw/zinc/69/24/60/519692460.db2.gz NSBPLRJMNGSAIB-BMFZPTHFSA-N 1 1 290.476 3.542 10 0 CHAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000151353226 519692462 /nfs/dbraw/zinc/69/24/62/519692462.db2.gz NSBPLRJMNGSAIB-BMFZPTHFSA-N 1 1 290.476 3.542 10 0 CHAEMO CC(C)C[N@@H+](C[C@H]1C[C@H](C(C)C)CCC1=O)C(C)C ZINC000054559310 519717672 /nfs/dbraw/zinc/71/76/72/519717672.db2.gz NBITWJZGRYJNJN-HZPDHXFCSA-N 1 1 267.457 3.994 10 0 CHAEMO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000138970171 519763773 /nfs/dbraw/zinc/76/37/73/519763773.db2.gz AAIOJBBRJLBBHR-UONOGXRCSA-N 1 1 287.407 3.856 10 0 CHAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025329 519772595 /nfs/dbraw/zinc/77/25/95/519772595.db2.gz DNJKJEBOUSNZOT-HIFRSBDPSA-N 1 1 278.465 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254.462 3.521 10 0 CHAEMO CCc1csc([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)n1 ZINC000193845189 522115991 /nfs/dbraw/zinc/11/59/91/522115991.db2.gz CMKZRYGUMCGZDQ-ZFWWWQNUSA-N 1 1 292.448 3.578 10 0 CHAEMO CC[C@H](CNCC(C)C)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546568 522195270 /nfs/dbraw/zinc/19/52/70/522195270.db2.gz QDASUUSMWNLUEF-ARFHVFGLSA-N 1 1 254.462 3.521 10 0 CHAEMO CC[C@H](CNCC(C)C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546568 522195274 /nfs/dbraw/zinc/19/52/74/522195274.db2.gz QDASUUSMWNLUEF-ARFHVFGLSA-N 1 1 254.462 3.521 10 0 CHAEMO CC[C@H](N)[C@H](c1cccs1)[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563532 522346993 /nfs/dbraw/zinc/34/69/93/522346993.db2.gz FCOKUFQWJLOUPJ-PWNZVWSESA-N 1 1 266.454 3.647 10 0 CHAEMO CC[C@@H](CNCC(C)C)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546567 522548671 /nfs/dbraw/zinc/54/86/71/522548671.db2.gz QDASUUSMWNLUEF-HRCADAONSA-N 1 1 254.462 3.521 10 0 CHAEMO CC[C@@H](CNCC(C)C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546567 522548678 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ZINC000062671206 524405627 /nfs/dbraw/zinc/40/56/27/524405627.db2.gz FWEJBGRPAJPAPH-VQIMIIECSA-N 1 1 280.415 3.530 10 0 CHAEMO Cc1ccccc1C[N@@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062668207 525134714 /nfs/dbraw/zinc/13/47/14/525134714.db2.gz SLQUJERWVBICOT-KRWDZBQOSA-N 1 1 274.452 3.594 10 0 CHAEMO Cc1ccccc1CN1CC(C)(C)[NH2+]C[C@@H]1CC(C)C ZINC000062668207 525134722 /nfs/dbraw/zinc/13/47/22/525134722.db2.gz SLQUJERWVBICOT-KRWDZBQOSA-N 1 1 274.452 3.594 10 0 CHAEMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000127663101 525349191 /nfs/dbraw/zinc/34/91/91/525349191.db2.gz HNMMPYQPNAVCSN-RHSMWYFYSA-N 1 1 269.392 3.627 10 0 CHAEMO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743521 525578462 /nfs/dbraw/zinc/57/84/62/525578462.db2.gz ANHIZAPXDDOFRP-XHDPSFHLSA-N 1 1 288.778 3.909 10 0 CHAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Cl)cc1N ZINC000050563279 525641342 /nfs/dbraw/zinc/64/13/42/525641342.db2.gz AOFFYUCPGFUYND-WDEREUQCSA-N 1 1 252.789 3.543 10 0 CHAEMO 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1 1 268.404 3.640 10 0 CHAEMO c1ccc2sc(C[NH2+][C@@H]3CCOc4ccccc43)nc2c1 ZINC000020136337 171023652 /nfs/dbraw/zinc/02/36/52/171023652.db2.gz UVSNGDOMEZAWBG-CYBMUJFWSA-N 1 1 296.395 3.910 10 0 CHAEMO Cc1ccc(C[N@H+](C)Cc2ccc(C)c(N)c2)cc1 ZINC000020264716 171122068 /nfs/dbraw/zinc/12/20/68/171122068.db2.gz PQDFOFQATXCSLB-UHFFFAOYSA-N 1 1 254.377 3.518 10 0 CHAEMO Cc1cc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438930 171202795 /nfs/dbraw/zinc/20/27/95/171202795.db2.gz HZKCXSHVORZRFB-KSSFIOAISA-N 1 1 286.419 3.850 10 0 CHAEMO CC[NH+](CC)CCCN[C@@H](C)c1c(C)cc(C)cc1C ZINC000020556912 171250327 /nfs/dbraw/zinc/25/03/27/171250327.db2.gz YPKSAAHVHHPPCP-KRWDZBQOSA-N 1 1 276.468 3.994 10 0 CHAEMO CCCc1ccc([C@@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000020559668 171251242 /nfs/dbraw/zinc/25/12/42/171251242.db2.gz GPERONATTQTASB-SFHVURJKSA-N 1 1 274.452 3.903 10 0 CHAEMO Fc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000020595831 171264483 /nfs/dbraw/zinc/26/44/83/171264483.db2.gz CPLNWYFTZHJHNZ-OAHLLOKOSA-N 1 1 288.341 3.651 10 0 CHAEMO Clc1nc2ccccc2cc1C[NH2+]Cc1cccnc1 ZINC000020935419 171281550 /nfs/dbraw/zinc/28/15/50/171281550.db2.gz SMPLHOFQZMWFOB-UHFFFAOYSA-N 1 1 283.762 3.573 10 0 CHAEMO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000021047081 171294470 /nfs/dbraw/zinc/29/44/70/171294470.db2.gz QTACKTQGHNRGKW-BZSNNMDCSA-N 1 1 280.500 3.913 10 0 CHAEMO Cc1ccc([C@H]([NH3+])CN2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000021058339 171296508 /nfs/dbraw/zinc/29/65/08/171296508.db2.gz HUSIHZYHMPNIIL-YQQAZPJKSA-N 1 1 260.425 3.566 10 0 CHAEMO N[C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCC1 ZINC000021511250 171310569 /nfs/dbraw/zinc/31/05/69/171310569.db2.gz RJUMBKUDPZXRPG-JKSUJKDBSA-N 1 1 252.446 3.693 10 0 CHAEMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021803581 171326894 /nfs/dbraw/zinc/32/68/94/171326894.db2.gz HIMSFAQGEVCELA-HUUCEWRRSA-N 1 1 268.489 3.769 10 0 CHAEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000035206587 172051362 /nfs/dbraw/zinc/05/13/62/172051362.db2.gz HYVIPJSRHJDKGE-MOPGFXCFSA-N 1 1 280.415 3.523 10 0 CHAEMO CN(Cc1ccccc1)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000035206587 172051364 /nfs/dbraw/zinc/05/13/64/172051364.db2.gz HYVIPJSRHJDKGE-MOPGFXCFSA-N 1 1 280.415 3.523 10 0 CHAEMO C[NH2+][C@@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035498280 172231333 /nfs/dbraw/zinc/23/13/33/172231333.db2.gz VFKBNOBWYXICCG-LBPRGKRZSA-N 1 1 273.735 3.989 10 0 CHAEMO CC[NH2+][C@H](c1occc1C)c1ccc(F)cc1F ZINC000035547259 172255426 /nfs/dbraw/zinc/25/54/26/172255426.db2.gz CSHNSDWZHBJPES-ZDUSSCGKSA-N 1 1 251.276 3.565 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)Cc1cccs1 ZINC000035717223 172370896 /nfs/dbraw/zinc/37/08/96/172370896.db2.gz KNLUIWVRZCWCRN-ZFWWWQNUSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)Cc1cccs1 ZINC000035717223 172370897 /nfs/dbraw/zinc/37/08/97/172370897.db2.gz KNLUIWVRZCWCRN-ZFWWWQNUSA-N 1 1 268.470 3.724 10 0 CHAEMO CN(Cc1ccsc1)c1ccc(N)c2c[nH+]ccc21 ZINC000035718671 172373022 /nfs/dbraw/zinc/37/30/22/172373022.db2.gz BTZGJXRKYKPMFC-UHFFFAOYSA-N 1 1 269.373 3.515 10 0 CHAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)Nc2cccc(F)c2)C1 ZINC000037209860 173031613 /nfs/dbraw/zinc/03/16/13/173031613.db2.gz FGFKHJNLSVRQJZ-KGLIPLIRSA-N 1 1 264.388 3.748 10 0 CHAEMO CC[C@H](c1ccccc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032518 174028552 /nfs/dbraw/zinc/02/85/52/174028552.db2.gz SONSGQFZVDKYLT-GOSISDBHSA-N 1 1 266.388 3.778 10 0 CHAEMO CC(C)c1ccc([C@@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789045 174173136 /nfs/dbraw/zinc/17/31/36/174173136.db2.gz OBPJVJGSPLPUOH-RVKKMQEKSA-N 1 1 274.452 3.788 10 0 CHAEMO CC(C)c1ccc([C@@H](C[NH3+])N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789045 174173138 /nfs/dbraw/zinc/17/31/38/174173138.db2.gz OBPJVJGSPLPUOH-RVKKMQEKSA-N 1 1 274.452 3.788 10 0 CHAEMO COc1ccc(Nc2[nH]c3ccc(Cl)cc3[nH+]2)cc1 ZINC000040379187 174250364 /nfs/dbraw/zinc/25/03/64/174250364.db2.gz ZOFOQSNFVIVZGY-UHFFFAOYSA-N 1 1 273.723 3.969 10 0 CHAEMO CC[C@H](C(=O)c1ccccc1)[N@@H+](CC(C)C)C1CC1 ZINC000042558524 174794700 /nfs/dbraw/zinc/79/47/00/174794700.db2.gz UBEROUWRSROCRX-MRXNPFEDSA-N 1 1 259.393 3.768 10 0 CHAEMO Cc1cc(C)c([C@@H](C)Nc2cnccc2C)c(C)[nH+]1 ZINC000071413819 176159171 /nfs/dbraw/zinc/15/91/71/176159171.db2.gz RYQNWGDEWMLHIY-CQSZACIVSA-N 1 1 255.365 3.883 10 0 CHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000106208025 261322870 /nfs/dbraw/zinc/32/28/70/261322870.db2.gz BUSWPLZIUHNXHL-SFHVURJKSA-N 1 1 297.446 3.807 10 0 CHAEMO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624204 261356216 /nfs/dbraw/zinc/35/62/16/261356216.db2.gz HKUPWYPCJMLEBS-UONOGXRCSA-N 1 1 290.798 3.507 10 0 CHAEMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116297287 267138160 /nfs/dbraw/zinc/13/81/60/267138160.db2.gz VGQGYXBUHNFILD-GOEBONIOSA-N 1 1 298.386 3.752 10 0 CHAEMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116297287 267138161 /nfs/dbraw/zinc/13/81/61/267138161.db2.gz VGQGYXBUHNFILD-GOEBONIOSA-N 1 1 298.386 3.752 10 0 CHAEMO CC/C=C/CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000184586791 327830418 /nfs/dbraw/zinc/83/04/18/327830418.db2.gz WMCYQLXXWKMNJJ-ONEGZZNKSA-N 1 1 275.396 3.662 10 0 CHAEMO C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000252684167 327025262 /nfs/dbraw/zinc/02/52/62/327025262.db2.gz GADBGPVIYYMZDA-PRLABOORSA-N 1 1 266.473 3.508 10 0 CHAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2cnns2)cc1 ZINC000296879942 327114305 /nfs/dbraw/zinc/11/43/05/327114305.db2.gz WZCCBDGKYALUSP-NSHDSACASA-N 1 1 261.394 3.512 10 0 CHAEMO C=Cn1cc(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000193687783 329060759 /nfs/dbraw/zinc/06/07/59/329060759.db2.gz IDCBMODKZCEJMN-GFCCVEGCSA-N 1 1 275.783 3.830 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042894 329065202 /nfs/dbraw/zinc/06/52/02/329065202.db2.gz GTCSNTXQXTUFSZ-VQIMIIECSA-N 1 1 297.446 3.850 10 0 CHAEMO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172027753 329083434 /nfs/dbraw/zinc/08/34/34/329083434.db2.gz WIYFNMNXWOQCGF-MRXNPFEDSA-N 1 1 299.370 3.698 10 0 CHAEMO CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000172271966 329084436 /nfs/dbraw/zinc/08/44/36/329084436.db2.gz KBTLLNWTFIRRRB-GOSISDBHSA-N 1 1 299.418 3.924 10 0 CHAEMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000172868494 329139635 /nfs/dbraw/zinc/13/96/35/329139635.db2.gz PNWFMCSHSZYFES-HNNXBMFYSA-N 1 1 286.375 3.719 10 0 CHAEMO COc1cccc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000172868494 329139636 /nfs/dbraw/zinc/13/96/36/329139636.db2.gz PNWFMCSHSZYFES-HNNXBMFYSA-N 1 1 286.375 3.719 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000180123534 329211852 /nfs/dbraw/zinc/21/18/52/329211852.db2.gz SCRLROJGQOPTBZ-MRXNPFEDSA-N 1 1 295.386 3.602 10 0 CHAEMO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000179967811 329214112 /nfs/dbraw/zinc/21/41/12/329214112.db2.gz ADJFYFPQJLQNAT-CHWSQXEVSA-N 1 1 265.401 3.766 10 0 CHAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000179967811 329214113 /nfs/dbraw/zinc/21/41/13/329214113.db2.gz ADJFYFPQJLQNAT-CHWSQXEVSA-N 1 1 265.401 3.766 10 0 CHAEMO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411299 329236518 /nfs/dbraw/zinc/23/65/18/329236518.db2.gz YXHRTZRHWIJDNO-HNAYVOBHSA-N 1 1 289.382 3.917 10 0 CHAEMO ClC(Cl)(Cl)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000184658208 329261850 /nfs/dbraw/zinc/26/18/50/329261850.db2.gz DQNCABMUWAKOKR-SNVBAGLBSA-N 1 1 296.629 3.697 10 0 CHAEMO ClC(Cl)(Cl)CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000184658208 329261851 /nfs/dbraw/zinc/26/18/51/329261851.db2.gz DQNCABMUWAKOKR-SNVBAGLBSA-N 1 1 296.629 3.697 10 0 CHAEMO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H](C)O2)o1 ZINC000190598898 329398400 /nfs/dbraw/zinc/39/84/00/329398400.db2.gz QMQNEPPKLQXYOV-QEJZJMRPSA-N 1 1 263.381 3.683 10 0 CHAEMO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000130775449 329627874 /nfs/dbraw/zinc/62/78/74/329627874.db2.gz AKMLLRFNLPKRSA-LSDHHAIUSA-N 1 1 298.434 3.643 10 0 CHAEMO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000130775233 329627900 /nfs/dbraw/zinc/62/79/00/329627900.db2.gz AKMLLRFNLPKRSA-HUUCEWRRSA-N 1 1 298.434 3.643 10 0 CHAEMO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130821579 329628819 /nfs/dbraw/zinc/62/88/19/329628819.db2.gz VHTUQEAOOMPSCX-KGLIPLIRSA-N 1 1 298.434 3.589 10 0 CHAEMO CC(C)c1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422687624 330150914 /nfs/dbraw/zinc/15/09/14/330150914.db2.gz BOXMLVBJYRNZKQ-BXEVVDMOSA-N 1 1 272.436 3.744 10 0 CHAEMO Fc1ccccc1CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000121381346 330399673 /nfs/dbraw/zinc/39/96/73/330399673.db2.gz WQQUHFNKAPLUTE-HNNXBMFYSA-N 1 1 259.324 3.798 10 0 CHAEMO c1c2ccccc2oc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247288993 334278745 /nfs/dbraw/zinc/27/87/45/334278745.db2.gz UAXRPYWKBRNBAC-WBVHZDCISA-N 1 1 271.360 3.576 10 0 CHAEMO C[C@H]1C[C@@H]1Nc1cc[nH+]c2c(Br)cccc12 ZINC000309794773 333049683 /nfs/dbraw/zinc/04/96/83/333049683.db2.gz PWYHMSCKTWJHPK-UFBFGSQYSA-N 1 1 277.165 3.818 10 0 CHAEMO C[C@H](NC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1Cl ZINC000222698515 333198952 /nfs/dbraw/zinc/19/89/52/333198952.db2.gz HVHIIAVYYPLLGG-JQWIXIFHSA-N 1 1 287.234 3.738 10 0 CHAEMO CC[C@H]1CC[C@@H]([NH2+]CCCN(C)Cc2ccccc2)C1 ZINC000080426619 334171330 /nfs/dbraw/zinc/17/13/30/334171330.db2.gz URIXOZXEBNSAFL-FUHWJXTLSA-N 1 1 274.452 3.677 10 0 CHAEMO CCC[C@@H](C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000245841002 334221201 /nfs/dbraw/zinc/22/12/01/334221201.db2.gz JWBCMBCFBKLVPI-ZWKOTPCHSA-N 1 1 297.446 3.793 10 0 CHAEMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)n[nH]1 ZINC000246528304 334263251 /nfs/dbraw/zinc/26/32/51/334263251.db2.gz VEDHCYBLLPYCDX-MAZHCROVSA-N 1 1 277.456 3.844 10 0 CHAEMO CN(CC[N@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000246741760 334268744 /nfs/dbraw/zinc/26/87/44/334268744.db2.gz YPBZYZTYQWKRTC-INIZCTEOSA-N 1 1 270.376 3.553 10 0 CHAEMO CC(C)(C)CC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246756709 334269094 /nfs/dbraw/zinc/26/90/94/334269094.db2.gz QMSURONWMOBLBN-DOMZBBRYSA-N 1 1 283.362 3.509 10 0 CHAEMO FC(F)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000248390112 334299861 /nfs/dbraw/zinc/29/98/61/334299861.db2.gz HLOAKYILMJCMEG-CABCVRRESA-N 1 1 281.346 3.768 10 0 CHAEMO CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](c3nccs3)C2)C1 ZINC000248497344 334304303 /nfs/dbraw/zinc/30/43/03/334304303.db2.gz RFSXHLVDKSGJRS-QLFBSQMISA-N 1 1 294.464 3.733 10 0 CHAEMO CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](c3nccs3)C2)C1 ZINC000248497344 334304304 /nfs/dbraw/zinc/30/43/04/334304304.db2.gz RFSXHLVDKSGJRS-QLFBSQMISA-N 1 1 294.464 3.733 10 0 CHAEMO Cc1csc([C@@H]2C[N@@H+](C[C@H]3CCCC[C@H]3C)CCO2)n1 ZINC000248508768 334304419 /nfs/dbraw/zinc/30/44/19/334304419.db2.gz YIWAOTUUDZWWFI-YUELXQCFSA-N 1 1 294.464 3.651 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1cc(Cl)cs1)CC2 ZINC000248655550 334311399 /nfs/dbraw/zinc/31/13/99/334311399.db2.gz BSTAPPBOXYAJLZ-SMDDNHRTSA-N 1 1 285.840 3.529 10 0 CHAEMO CCCC[C@H](CC)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000248856682 334319731 /nfs/dbraw/zinc/31/97/31/334319731.db2.gz DOMMMCCWSVEFOW-JKSUJKDBSA-N 1 1 292.471 3.694 10 0 CHAEMO C[NH2+]C[C@@H]1CCCN([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251494712 334362248 /nfs/dbraw/zinc/36/22/48/334362248.db2.gz JOOQYDVCIVPLTJ-CVEARBPZSA-N 1 1 288.479 3.977 10 0 CHAEMO CC(C)C[C@@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040779397 519225265 /nfs/dbraw/zinc/22/52/65/519225265.db2.gz NAWFSMHSWVDLDM-LBPRGKRZSA-N 1 1 278.783 3.707 10 0 CHAEMO CC(C)[C@@H](C[NH+](C)C)N[C@H](C)c1ccccc1Cl ZINC000049195605 519793958 /nfs/dbraw/zinc/79/39/58/519793958.db2.gz CBLWCSKXTABELY-IUODEOHRSA-N 1 1 268.832 3.577 10 0 CHAEMO CC(C)[C@@H]1C[N@@H+](CCCc2ccccc2)[C@@H](C(C)C)CN1 ZINC000062705142 519804520 /nfs/dbraw/zinc/80/45/20/519804520.db2.gz PYHNPUXPPOMURA-RBUKOAKNSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)[C@@H]1CN(CCCc2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000062705142 519804521 /nfs/dbraw/zinc/80/45/21/519804521.db2.gz PYHNPUXPPOMURA-RBUKOAKNSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)[C@H](C[NH+](C)C)NCc1cccc(Cl)c1Cl ZINC000049196889 519814674 /nfs/dbraw/zinc/81/46/74/519814674.db2.gz AVDWUHBTPISYKB-ZDUSSCGKSA-N 1 1 289.250 3.669 10 0 CHAEMO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)no1 ZINC000127770091 519868341 /nfs/dbraw/zinc/86/83/41/519868341.db2.gz FLBLOFRUXUNUJT-UONOGXRCSA-N 1 1 275.396 3.686 10 0 CHAEMO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)no1 ZINC000127770091 519868343 /nfs/dbraw/zinc/86/83/43/519868343.db2.gz FLBLOFRUXUNUJT-UONOGXRCSA-N 1 1 275.396 3.686 10 0 CHAEMO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000252474672 520008133 /nfs/dbraw/zinc/00/81/33/520008133.db2.gz JUDUBISNVROXSL-HUUCEWRRSA-N 1 1 298.471 3.610 10 0 CHAEMO CCCCC[N@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062657453 520180771 /nfs/dbraw/zinc/18/07/71/520180771.db2.gz RXNINXYFXIHLDD-MRXNPFEDSA-N 1 1 260.425 3.602 10 0 CHAEMO CCCCCN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062657453 520180777 /nfs/dbraw/zinc/18/07/77/520180777.db2.gz RXNINXYFXIHLDD-MRXNPFEDSA-N 1 1 260.425 3.602 10 0 CHAEMO CC[N@@H+](C[C@@H]1C[C@H](C(C)C)CCC1=O)C1CCCC1 ZINC000054559013 521233305 /nfs/dbraw/zinc/23/33/05/521233305.db2.gz DOUNAWRNRYRKFJ-CABCVRRESA-N 1 1 265.441 3.892 10 0 CHAEMO CCS[C@@H]1CC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000226804390 521726905 /nfs/dbraw/zinc/72/69/05/521726905.db2.gz BZQLRIFIZZEOFL-NXEZZACHSA-N 1 1 256.802 3.821 10 0 CHAEMO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000037772152 522416135 /nfs/dbraw/zinc/41/61/35/522416135.db2.gz PEXHRIOQTWJMBU-CYBMUJFWSA-N 1 1 287.359 3.534 10 0 CHAEMO CC[C@@H](C1CCCCC1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000052341989 522464673 /nfs/dbraw/zinc/46/46/73/522464673.db2.gz BSTSRFGGPZNCHB-KRWDZBQOSA-N 1 1 258.409 3.943 10 0 CHAEMO C[C@@H]1CCC[N@@H+](Cc2c(N)cccc2Br)[C@@H]1C ZINC000050563132 524230218 /nfs/dbraw/zinc/23/02/18/524230218.db2.gz QTYYSCJITSBQKQ-GHMZBOCLSA-N 1 1 297.240 3.652 10 0 CHAEMO Cc1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000156982042 524698298 /nfs/dbraw/zinc/69/82/98/524698298.db2.gz RYUYABDHZKVENL-MNOVXSKESA-N 1 1 258.287 3.923 10 0 CHAEMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccncc2)o1 ZINC000130957317 525801843 /nfs/dbraw/zinc/80/18/43/525801843.db2.gz HGKCCADEZMEXSX-HNNXBMFYSA-N 1 1 256.349 3.710 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Br)n2)o1 ZINC000131049514 525927285 /nfs/dbraw/zinc/92/72/85/525927285.db2.gz RSBKINOEXXTBQH-JTQLQIEISA-N 1 1 295.180 3.596 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000036960084 525940622 /nfs/dbraw/zinc/94/06/22/525940622.db2.gz GRPXSKLBZQJRRQ-GXTWGEPZSA-N 1 1 257.333 3.762 10 0 CHAEMO C[C@H]1CCC[N@@H+](Cc2cc(N)ccc2Br)[C@H]1C ZINC000252681946 566977045 /nfs/dbraw/zinc/97/70/45/566977045.db2.gz BHDGEMDZBJDLGD-QWRGUYRKSA-N 1 1 297.240 3.652 10 0 CHAEMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](C)O)s1 ZINC000036101562 566994107 /nfs/dbraw/zinc/99/41/07/566994107.db2.gz NOKHHCCRHIPJAM-GFCCVEGCSA-N 1 1 293.407 3.579 10 0 CHAEMO CCC[N@@H+]1CC[C@H](N)C12CCC(C(C)(C)CC)CC2 ZINC000712032408 567836761 /nfs/dbraw/zinc/83/67/61/567836761.db2.gz OXVCIPZSQDDLGC-CKDBGZEDSA-N 1 1 266.473 3.795 10 0 CHAEMO CCC[N@H+]1CC[C@H](N)C12CCC(C(C)(C)CC)CC2 ZINC000712032408 567836762 /nfs/dbraw/zinc/83/67/62/567836762.db2.gz OXVCIPZSQDDLGC-CKDBGZEDSA-N 1 1 266.473 3.795 10 0 CHAEMO CCCc1ncc(C[N@@H+](Cc2ccncc2)[C@@H](C)CC)cn1 ZINC000055384906 570242688 /nfs/dbraw/zinc/24/26/88/570242688.db2.gz SAUNCIQVSWMMRD-HNNXBMFYSA-N 1 1 298.434 3.625 10 0 CHAEMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc3ccccc3n2)CC1 ZINC000301794045 1123932900 /nfs/dbraw/zinc/93/29/00/1123932900.db2.gz SEPZNLXOJXAKMX-HNNXBMFYSA-N 1 1 295.430 3.688 10 0 CHAEMO Cc1cc(Nc2ccc(Br)c(C)c2)[nH+]cc1N ZINC000082586895 178123878 /nfs/dbraw/zinc/12/38/78/178123878.db2.gz GFOWHUJIVXQNSB-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO C[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000083385228 178393276 /nfs/dbraw/zinc/39/32/76/178393276.db2.gz MKMYLKDAPMIHDU-LBPRGKRZSA-N 1 1 251.333 3.779 10 0 CHAEMO COc1ccccc1C1=CC[N@@H+](Cc2ccccc2)C1 ZINC000090555164 180003166 /nfs/dbraw/zinc/00/31/66/180003166.db2.gz JMXJJANFTBPHMZ-UHFFFAOYSA-N 1 1 265.356 3.594 10 0 CHAEMO CC(C)OCCC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000171501683 335067555 /nfs/dbraw/zinc/06/75/55/335067555.db2.gz DODBAZJWLVJBPX-KRWDZBQOSA-N 1 1 291.435 3.654 10 0 CHAEMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1ccc(Cl)cc1 ZINC000009998148 170394526 /nfs/dbraw/zinc/39/45/26/170394526.db2.gz JIFMKVRKDGFTSB-RYUDHWBXSA-N 1 1 265.784 3.786 10 0 CHAEMO [NH3+][C@H](CN1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000019982603 170960031 /nfs/dbraw/zinc/96/00/31/170960031.db2.gz HKWFHZIRTDLDPY-LJQANCHMSA-N 1 1 280.415 3.839 10 0 CHAEMO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129352 171016843 /nfs/dbraw/zinc/01/68/43/171016843.db2.gz CAMYMHRMZJKSBW-KDOFPFPSSA-N 1 1 286.394 3.779 10 0 CHAEMO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129361 171016884 /nfs/dbraw/zinc/01/68/84/171016884.db2.gz PLJNDDORYZAITQ-KBXCAEBGSA-N 1 1 286.394 3.779 10 0 CHAEMO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129350 171017043 /nfs/dbraw/zinc/01/70/43/171017043.db2.gz CTMBNTJVHVHCCU-UKRRQHHQSA-N 1 1 274.433 3.702 10 0 CHAEMO Fc1ccccc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020136292 171024187 /nfs/dbraw/zinc/02/41/87/171024187.db2.gz SMTWEFIVNWOULE-UHFFFAOYSA-N 1 1 272.348 3.725 10 0 CHAEMO C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1Br ZINC000020139891 171026930 /nfs/dbraw/zinc/02/69/30/171026930.db2.gz WHWSURYRFRSBAP-LLVKDONJSA-N 1 1 291.192 3.695 10 0 CHAEMO Cc1cccc([C@H](CN)[N@@H+](C)CC2CCCCC2)c1 ZINC000020225522 171088848 /nfs/dbraw/zinc/08/88/48/171088848.db2.gz DSKNBADYJJCQMR-KRWDZBQOSA-N 1 1 260.425 3.507 10 0 CHAEMO Cc1cccc([C@H](C[NH3+])N(C)CC2CCCCC2)c1 ZINC000020225522 171088850 /nfs/dbraw/zinc/08/88/50/171088850.db2.gz DSKNBADYJJCQMR-KRWDZBQOSA-N 1 1 260.425 3.507 10 0 CHAEMO CCOc1ccccc1[C@@H](CN)[N@H+](C)CC1CCCCC1 ZINC000020226166 171089573 /nfs/dbraw/zinc/08/95/73/171089573.db2.gz MJJYSALSHDCHRS-QGZVFWFLSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1ccccc1[C@@H](CN)[N@@H+](C)CC1CCCCC1 ZINC000020226166 171089576 /nfs/dbraw/zinc/08/95/76/171089576.db2.gz MJJYSALSHDCHRS-QGZVFWFLSA-N 1 1 290.451 3.597 10 0 CHAEMO C[N@@H+](CC(C)(C)C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226329 171090987 /nfs/dbraw/zinc/09/09/87/171090987.db2.gz YLJDDENGBFAFFB-MRXNPFEDSA-N 1 1 276.468 3.962 10 0 CHAEMO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226329 171090988 /nfs/dbraw/zinc/09/09/88/171090988.db2.gz YLJDDENGBFAFFB-MRXNPFEDSA-N 1 1 276.468 3.962 10 0 CHAEMO CCCCCC[C@](C)(CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362590 171161695 /nfs/dbraw/zinc/16/16/95/171161695.db2.gz RTVIDVMNVCVMHZ-OWCLPIDISA-N 1 1 254.462 3.652 10 0 CHAEMO Nc1ccc(NCCc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000020383214 171173227 /nfs/dbraw/zinc/17/32/27/171173227.db2.gz DQXGRNQRLCJBKF-UHFFFAOYSA-N 1 1 282.174 3.625 10 0 CHAEMO Cc1cc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438939 171203165 /nfs/dbraw/zinc/20/31/65/171203165.db2.gz HZKCXSHVORZRFB-KBXCAEBGSA-N 1 1 286.419 3.850 10 0 CHAEMO CCCC[NH+](CCCC)[C@H](CN)c1ccccc1F ZINC000020484988 171224445 /nfs/dbraw/zinc/22/44/45/171224445.db2.gz VTEOOEIUBUGKTM-MRXNPFEDSA-N 1 1 266.404 3.728 10 0 CHAEMO CCCC[N@@H+](CCCCO)CCC1=CCCCC1 ZINC000020541344 171241418 /nfs/dbraw/zinc/24/14/18/171241418.db2.gz NSCZGRDADSFIQV-UHFFFAOYSA-N 1 1 253.430 3.752 10 0 CHAEMO CC(C)[C@H]([C@H](N)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000020546230 171243997 /nfs/dbraw/zinc/24/39/97/171243997.db2.gz GPQSLYWPUOZNAR-USXIJHARSA-N 1 1 260.425 3.585 10 0 CHAEMO CC(C)CC(CC(C)C)[NH2+]CCCN1CCCCC1 ZINC000020558084 171250787 /nfs/dbraw/zinc/25/07/87/171250787.db2.gz IAUPHTJEDPSARJ-UHFFFAOYSA-N 1 1 268.489 3.913 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508357 171308977 /nfs/dbraw/zinc/30/89/77/171308977.db2.gz SEERTIVLJNUNCR-LVQVYYBASA-N 1 1 254.462 3.508 10 0 CHAEMO CC1CCN(C2(C[NH3+])CCC(C(C)(C)C)CC2)CC1 ZINC000021790119 171323250 /nfs/dbraw/zinc/32/32/50/171323250.db2.gz ZEUFIWDEWKEIMF-UHFFFAOYSA-N 1 1 266.473 3.652 10 0 CHAEMO Cc1ccc([C@H](N)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000021804378 171326666 /nfs/dbraw/zinc/32/66/66/171326666.db2.gz XAKOYGRILGAVHS-QGZVFWFLSA-N 1 1 260.425 3.568 10 0 CHAEMO Cc1cc(C)c([C@H](N)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000021807066 171327832 /nfs/dbraw/zinc/32/78/32/171327832.db2.gz HFNAHHPEPPBDNC-JKIFEVAISA-N 1 1 274.452 3.590 10 0 CHAEMO C[C@H]1CCCC[N@H+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000022563393 171391125 /nfs/dbraw/zinc/39/11/25/171391125.db2.gz JDXZNHQWPKVTRF-KBXCAEBGSA-N 1 1 268.404 3.714 10 0 CHAEMO C[C@H]1CCCCN1C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000022563393 171391126 /nfs/dbraw/zinc/39/11/26/171391126.db2.gz JDXZNHQWPKVTRF-KBXCAEBGSA-N 1 1 268.404 3.714 10 0 CHAEMO C[N@@H+](C1CCCCC1)C1(CN)CCCCCCC1 ZINC000035176667 172029283 /nfs/dbraw/zinc/02/92/83/172029283.db2.gz IGPBPONTGXEMDW-UHFFFAOYSA-N 1 1 252.446 3.693 10 0 CHAEMO CC[N@@H+](C1CCCCC1)[C@](C)(CN)CCC(C)C ZINC000035176729 172030386 /nfs/dbraw/zinc/03/03/86/172030386.db2.gz BHHUGZWPUOXRGC-INIZCTEOSA-N 1 1 254.462 3.795 10 0 CHAEMO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccccc1N ZINC000035360846 172152257 /nfs/dbraw/zinc/15/22/57/172152257.db2.gz ZLLRKHFDSKJDEM-UHFFFAOYSA-N 1 1 266.797 3.616 10 0 CHAEMO Cc1ccoc1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035382382 172165535 /nfs/dbraw/zinc/16/55/35/172165535.db2.gz IFCORKZGDSMUKC-NSHDSACASA-N 1 1 256.132 3.943 10 0 CHAEMO C[NH2+][C@@H](c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000035464430 172212203 /nfs/dbraw/zinc/21/22/03/172212203.db2.gz UDYFIRRYBKEQDH-AWEZNQCLSA-N 1 1 267.706 3.927 10 0 CHAEMO C[N@@H+](Cc1cccs1)Cc1ccc(Cl)c(N)c1 ZINC000035716594 172369959 /nfs/dbraw/zinc/36/99/59/172369959.db2.gz PCHNNYYIDWVOOZ-UHFFFAOYSA-N 1 1 266.797 3.616 10 0 CHAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2cccc(C)c2C)C1 ZINC000037210384 173032638 /nfs/dbraw/zinc/03/26/38/173032638.db2.gz SGZXPHNDCAWXFU-CVEARBPZSA-N 1 1 260.425 3.836 10 0 CHAEMO C[C@@H](Nc1ccc(F)cc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037222090 173041985 /nfs/dbraw/zinc/04/19/85/173041985.db2.gz OVMRPCYHRDGWKZ-MNOVXSKESA-N 1 1 270.779 3.621 10 0 CHAEMO CC[C@H](C(=O)c1ccccc1)[N@@H+](C)C1CCCCC1 ZINC000037333186 173134197 /nfs/dbraw/zinc/13/41/97/173134197.db2.gz PNXZVTCPFIWGFT-MRXNPFEDSA-N 1 1 259.393 3.912 10 0 CHAEMO CCC[C@@H](C)[N@@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037339341 173139975 /nfs/dbraw/zinc/13/99/75/173139975.db2.gz GZNAESCMRRKDFF-OAHLLOKOSA-N 1 1 261.409 3.915 10 0 CHAEMO CC[C@H](NC[C@@H](C)[NH+]1CCCCC1)c1ccccc1OC ZINC000038028974 174017915 /nfs/dbraw/zinc/01/79/15/174017915.db2.gz ZEOCCVYTOXEEPD-WBVHZDCISA-N 1 1 290.451 3.610 10 0 CHAEMO Cc1ccc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032475 174029133 /nfs/dbraw/zinc/02/91/33/174029133.db2.gz AQZYOIGUDSAARM-AWEZNQCLSA-N 1 1 266.388 3.697 10 0 CHAEMO CC[C@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041822 174042968 /nfs/dbraw/zinc/04/29/68/174042968.db2.gz OTNYTRFWHQOIDR-YJBOKZPZSA-N 1 1 292.442 3.988 10 0 CHAEMO Cc1csc(C[NH2+][C@H](C)c2c(C)cc(C)nc2C)n1 ZINC000038091109 174104733 /nfs/dbraw/zinc/10/47/33/174104733.db2.gz ZEVVHSAFLZMUHS-GFCCVEGCSA-N 1 1 275.421 3.623 10 0 CHAEMO CC1CC[NH+]([C@H](CN)c2ccc(C(C)(C)C)cc2)CC1 ZINC000038688809 174152246 /nfs/dbraw/zinc/15/22/46/174152246.db2.gz LCRUYKXOXKFUBK-QGZVFWFLSA-N 1 1 274.452 3.716 10 0 CHAEMO CCCc1ccc([C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121861 175143111 /nfs/dbraw/zinc/14/31/11/175143111.db2.gz JICXLKONOIVWJB-RVKKMQEKSA-N 1 1 275.436 3.935 10 0 CHAEMO Cc1ccncc1-c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000333241943 228194619 /nfs/dbraw/zinc/19/46/19/228194619.db2.gz WMXZTWOSVAFEPY-OAHLLOKOSA-N 1 1 298.390 3.520 10 0 CHAEMO Cc1nccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)n1 ZINC000128025086 260371672 /nfs/dbraw/zinc/37/16/72/260371672.db2.gz XEMYTKPLQAQYLK-LBPRGKRZSA-N 1 1 293.823 3.667 10 0 CHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000106206012 261322917 /nfs/dbraw/zinc/32/29/17/261322917.db2.gz RJVARLSXXNEFQH-MRXNPFEDSA-N 1 1 275.440 3.754 10 0 CHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000106216141 261323361 /nfs/dbraw/zinc/32/33/61/261323361.db2.gz POGVUZJSCOOAIP-KRWDZBQOSA-N 1 1 283.419 3.591 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1cncc(F)c1 ZINC000221896202 262320586 /nfs/dbraw/zinc/32/05/86/262320586.db2.gz YZTJLTCODARYPH-NXEZZACHSA-N 1 1 280.293 3.911 10 0 CHAEMO CC[C@H](C)[C@@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270135 262342270 /nfs/dbraw/zinc/34/22/70/262342270.db2.gz SHYLWSXMDOETQW-FYBHJDENSA-N 1 1 289.423 3.583 10 0 CHAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956640 264338220 /nfs/dbraw/zinc/33/82/20/264338220.db2.gz ZMNVTASBGXTFSF-DLBZAZTESA-N 1 1 288.435 3.560 10 0 CHAEMO Cc1ccc([C@@H](C)NCC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000094955364 265278740 /nfs/dbraw/zinc/27/87/40/265278740.db2.gz JVRMJRNIYQRYIZ-ZBFHGGJFSA-N 1 1 278.415 3.659 10 0 CHAEMO Cc1ccc([C@@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000094955364 265278743 /nfs/dbraw/zinc/27/87/43/265278743.db2.gz JVRMJRNIYQRYIZ-ZBFHGGJFSA-N 1 1 278.415 3.659 10 0 CHAEMO Cc1noc(C)c1C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117893969 267225208 /nfs/dbraw/zinc/22/52/08/267225208.db2.gz ZAHGOTGRXLABAY-UHFFFAOYSA-N 1 1 274.389 3.642 10 0 CHAEMO COC(=O)c1sccc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000378678791 327751193 /nfs/dbraw/zinc/75/11/93/327751193.db2.gz QZJXLUIJIFFBQF-GFCCVEGCSA-N 1 1 289.400 3.694 10 0 CHAEMO NCC[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000042428165 327238074 /nfs/dbraw/zinc/23/80/74/327238074.db2.gz CMESJDOGWRZNHK-UHFFFAOYSA-N 1 1 268.404 3.543 10 0 CHAEMO [NH3+]CCN(Cc1cccc2ccccc21)C1CCCC1 ZINC000042428165 327238075 /nfs/dbraw/zinc/23/80/75/327238075.db2.gz CMESJDOGWRZNHK-UHFFFAOYSA-N 1 1 268.404 3.543 10 0 CHAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000175653267 329167700 /nfs/dbraw/zinc/16/77/00/329167700.db2.gz QHZYDPXJOGWFOH-RDJZCZTQSA-N 1 1 299.418 3.598 10 0 CHAEMO c1[nH]c([C@H]2CCC[N@H+](C3CCC3)C2)nc1-c1ccccc1 ZINC000179574972 329209853 /nfs/dbraw/zinc/20/98/53/329209853.db2.gz CHCPZEFPGAHFOI-HNNXBMFYSA-N 1 1 281.403 3.809 10 0 CHAEMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000180429370 329216744 /nfs/dbraw/zinc/21/67/44/329216744.db2.gz AGBKDMXPOZWIME-MRXNPFEDSA-N 1 1 289.810 3.719 10 0 CHAEMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000181282808 329229514 /nfs/dbraw/zinc/22/95/14/329229514.db2.gz HHWOKWJKLBHZRI-DOXZYTNZSA-N 1 1 297.446 3.614 10 0 CHAEMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2ccc3ccccc3n2)[C@@H](C)C1 ZINC000181282808 329229515 /nfs/dbraw/zinc/22/95/15/329229515.db2.gz HHWOKWJKLBHZRI-DOXZYTNZSA-N 1 1 297.446 3.614 10 0 CHAEMO C[C@@H]1c2cccn2CC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184412825 329257543 /nfs/dbraw/zinc/25/75/43/329257543.db2.gz HGCFXGLULJJBDN-SECBINFHSA-N 1 1 281.614 3.625 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ncc[nH]1 ZINC000124799470 329573853 /nfs/dbraw/zinc/57/38/53/329573853.db2.gz QWZXDWJYDVFYLP-JGVFFNPUSA-N 1 1 255.774 3.536 10 0 CHAEMO CCC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130759848 329627628 /nfs/dbraw/zinc/62/76/28/329627628.db2.gz KLJHZIUYUCDSRY-HOCLYGCPSA-N 1 1 298.434 3.806 10 0 CHAEMO C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccoc1 ZINC000379615832 330141993 /nfs/dbraw/zinc/14/19/93/330141993.db2.gz BGCGPCNCNJUMBA-APWZRJJASA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccoc1 ZINC000379615832 330141995 /nfs/dbraw/zinc/14/19/95/330141995.db2.gz BGCGPCNCNJUMBA-APWZRJJASA-N 1 1 298.430 3.985 10 0 CHAEMO Cc1cc(C)c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(C)c1 ZINC000250969152 334354150 /nfs/dbraw/zinc/35/41/50/334354150.db2.gz BILJJFQHHGSLRR-PKOBYXMFSA-N 1 1 287.447 3.739 10 0 CHAEMO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000177505036 333059871 /nfs/dbraw/zinc/05/98/71/333059871.db2.gz ONGKHELSRWIMPB-ZDUSSCGKSA-N 1 1 299.418 3.719 10 0 CHAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1ccc2ccccc2n1 ZINC000178681409 333076749 /nfs/dbraw/zinc/07/67/49/333076749.db2.gz UXEOVSKMWJJHRN-NVXWUHKLSA-N 1 1 299.462 3.862 10 0 CHAEMO CC/C=C/CC[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000184494079 333129307 /nfs/dbraw/zinc/12/93/07/333129307.db2.gz WPZMKKIGAWOUMB-ISZGNANSSA-N 1 1 264.438 3.987 10 0 CHAEMO CC/C=C/CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000184586687 333130125 /nfs/dbraw/zinc/13/01/25/333130125.db2.gz KTYGUYJYGWAFOG-AATRIKPKSA-N 1 1 277.412 3.908 10 0 CHAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCOCC(F)F)o1 ZINC000189391531 333191837 /nfs/dbraw/zinc/19/18/37/333191837.db2.gz QGXZUBKUOSGGBB-ZDUSSCGKSA-N 1 1 287.350 3.651 10 0 CHAEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC000245199135 334184659 /nfs/dbraw/zinc/18/46/59/334184659.db2.gz BMRYWXOSHJQJSC-DLBZAZTESA-N 1 1 288.435 3.518 10 0 CHAEMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000245641440 334209869 /nfs/dbraw/zinc/20/98/69/334209869.db2.gz DNZABTPKPNHLED-KXBFYZLASA-N 1 1 298.430 3.974 10 0 CHAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247118896 334275836 /nfs/dbraw/zinc/27/58/36/334275836.db2.gz AIUBQZJUZUBKTQ-HACGYAERSA-N 1 1 295.373 3.653 10 0 CHAEMO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247943393 334292094 /nfs/dbraw/zinc/29/20/94/334292094.db2.gz DFAHRAXQRWETII-IGCXYCKISA-N 1 1 295.373 3.653 10 0 CHAEMO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248145342 334295948 /nfs/dbraw/zinc/29/59/48/334295948.db2.gz QCIQGPCLUAKKIO-UKPHBRMFSA-N 1 1 277.383 3.514 10 0 CHAEMO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000251142779 334357067 /nfs/dbraw/zinc/35/70/67/334357067.db2.gz DLTXSKYDPJPSAN-ULQDDVLXSA-N 1 1 272.436 3.581 10 0 CHAEMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000251142779 334357069 /nfs/dbraw/zinc/35/70/69/334357069.db2.gz DLTXSKYDPJPSAN-ULQDDVLXSA-N 1 1 272.436 3.581 10 0 CHAEMO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000380599010 336003219 /nfs/dbraw/zinc/00/32/19/336003219.db2.gz ZCRHVFOXBSJHTH-ICUGJSFKSA-N 1 1 279.468 3.828 10 0 CHAEMO FC(F)(F)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000194297520 336015545 /nfs/dbraw/zinc/01/55/45/336015545.db2.gz TVYQYXFWWBFECN-YOIVXCQUSA-N 1 1 269.310 3.974 10 0 CHAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC000383549534 336113701 /nfs/dbraw/zinc/11/37/01/336113701.db2.gz SEBIWVXQHZFLLO-OKZBNKHCSA-N 1 1 279.468 3.972 10 0 CHAEMO CC(C)[NH2+]CC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000052346422 519722339 /nfs/dbraw/zinc/72/23/39/519722339.db2.gz LDBGTUXUTUPHJO-CYBMUJFWSA-N 1 1 268.832 3.548 10 0 CHAEMO CCCNC[C@H](C(C)C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517353 519929078 /nfs/dbraw/zinc/92/90/78/519929078.db2.gz PKLXRJMBGFNJTJ-IAGOWNOFSA-N 1 1 266.473 3.665 10 0 CHAEMO CCC[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1C1CCCC1 ZINC000052517353 519929091 /nfs/dbraw/zinc/92/90/91/519929091.db2.gz PKLXRJMBGFNJTJ-IAGOWNOFSA-N 1 1 266.473 3.665 10 0 CHAEMO CN(CC(C)(C)C)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464544 522547329 /nfs/dbraw/zinc/54/73/29/522547329.db2.gz UWYFCUYVLHJUQC-CQSZACIVSA-N 1 1 276.449 3.879 10 0 CHAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1[C@H]1CC1(C)C ZINC000052854025 519105344 /nfs/dbraw/zinc/10/53/44/519105344.db2.gz OACMJWDFGTYARC-ZDUSSCGKSA-N 1 1 257.381 3.887 10 0 CHAEMO CC(=O)CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000101919831 519418232 /nfs/dbraw/zinc/41/82/32/519418232.db2.gz KXVIZBCICLBROB-UHFFFAOYSA-N 1 1 265.356 3.648 10 0 CHAEMO CC(C)C[N@@H+](C[C@@H]1C[C@H](C(C)C)CCC1=O)C(C)C ZINC000054559309 519717769 /nfs/dbraw/zinc/71/77/69/519717769.db2.gz NBITWJZGRYJNJN-CVEARBPZSA-N 1 1 267.457 3.994 10 0 CHAEMO CC(C)NC[C@@H](C(C)C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546502 519722857 /nfs/dbraw/zinc/72/28/57/519722857.db2.gz CMHLLBTUMFFJEC-XHSDSOJGSA-N 1 1 254.462 3.520 10 0 CHAEMO CC(C)[NH2+]C[C@@H](C(C)C)N(C)[C@@H]1CCCC[C@@H]1C ZINC000052546502 519722858 /nfs/dbraw/zinc/72/28/58/519722858.db2.gz CMHLLBTUMFFJEC-XHSDSOJGSA-N 1 1 254.462 3.520 10 0 CHAEMO CC(C)C[NH2+]C[C@@H](C)CN(C)[C@@H](C)c1cccs1 ZINC000052506530 519744393 /nfs/dbraw/zinc/74/43/93/519744393.db2.gz HOVZQTZRJFZGDP-KGLIPLIRSA-N 1 1 268.470 3.623 10 0 CHAEMO CCCCC1CCC(C[NH2+]CCCN(C)C)CC1 ZINC000062435079 519919626 /nfs/dbraw/zinc/91/96/26/519919626.db2.gz OWXOXJOSDOQEJL-UHFFFAOYSA-N 1 1 254.462 3.524 10 0 CHAEMO CCNc1cc(C)[nH+]c2c(OC(F)F)cccc12 ZINC000050870822 520269803 /nfs/dbraw/zinc/26/98/03/520269803.db2.gz LZDFTNLCRHQQBM-UHFFFAOYSA-N 1 1 252.264 3.576 10 0 CHAEMO CCNc1cc(C[N@@H+](C)C2CCC(C)CC2)ccn1 ZINC000052730293 520270570 /nfs/dbraw/zinc/27/05/70/520270570.db2.gz LYOURGOWBGUKRU-UHFFFAOYSA-N 1 1 261.413 3.524 10 0 CHAEMO CCc1ccccc1[C@H](CN)[N@@H+](C)[C@@H](C)CC(C)C ZINC000052203817 521951342 /nfs/dbraw/zinc/95/13/42/521951342.db2.gz IZEVKGBRFATYJV-YOEHRIQHSA-N 1 1 262.441 3.615 10 0 CHAEMO CCc1ccccc1[C@H](C[NH3+])N(C)[C@@H](C)CC(C)C ZINC000052203817 521951351 /nfs/dbraw/zinc/95/13/51/521951351.db2.gz IZEVKGBRFATYJV-YOEHRIQHSA-N 1 1 262.441 3.615 10 0 CHAEMO C[NH2+][C@H](c1ccccc1F)c1ccccc1Br ZINC000052898279 522486109 /nfs/dbraw/zinc/48/61/09/522486109.db2.gz HVQLFAFFUZIIJZ-AWEZNQCLSA-N 1 1 294.167 3.897 10 0 CHAEMO C[N@@H+](CC(C)(C)C)[C@H](CN)c1csc2ccccc21 ZINC000054464544 522547321 /nfs/dbraw/zinc/54/73/21/522547321.db2.gz UWYFCUYVLHJUQC-CQSZACIVSA-N 1 1 276.449 3.879 10 0 CHAEMO C[N@H+]([C@H](CCN)c1ccccc1)C1CCCCCC1 ZINC000055016171 523626645 /nfs/dbraw/zinc/62/66/45/523626645.db2.gz IYMRQXJOINBTCH-QGZVFWFLSA-N 1 1 260.425 3.731 10 0 CHAEMO C[N@@H+]([C@H](CCN)c1ccccc1)C1CCCCCC1 ZINC000055016171 523626652 /nfs/dbraw/zinc/62/66/52/523626652.db2.gz IYMRQXJOINBTCH-QGZVFWFLSA-N 1 1 260.425 3.731 10 0 CHAEMO CC[C@@]1(CN(Cc2cccs2)C(C)C)CCC[NH2+]C1 ZINC000062862598 523734576 /nfs/dbraw/zinc/73/45/76/523734576.db2.gz VMOGWXRTARSAAQ-MRXNPFEDSA-N 1 1 280.481 3.738 10 0 CHAEMO C[N@H+]1CCCC[C@@H]1CCNc1cccc(Cl)c1 ZINC000052205304 523793586 /nfs/dbraw/zinc/79/35/86/523793586.db2.gz HELXJEVIQXXNGV-CQSZACIVSA-N 1 1 252.789 3.626 10 0 CHAEMO Cc1cccc(C[N@H+]2C[C@H](C)NC[C@@H]2c2ccccc2)c1 ZINC000062671205 524410930 /nfs/dbraw/zinc/41/09/30/524410930.db2.gz FWEJBGRPAJPAPH-QFBILLFUSA-N 1 1 280.415 3.530 10 0 CHAEMO Cc1cccc(C[N@@H+]2C[C@H](C)NC[C@@H]2c2ccccc2)c1 ZINC000062671205 524410936 /nfs/dbraw/zinc/41/09/36/524410936.db2.gz FWEJBGRPAJPAPH-QFBILLFUSA-N 1 1 280.415 3.530 10 0 CHAEMO COc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000120422287 525160453 /nfs/dbraw/zinc/16/04/53/525160453.db2.gz OCSLBUJUMZWSSH-BEFAXECRSA-N 1 1 298.430 3.649 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1cc[nH]n1 ZINC000049515655 525604150 /nfs/dbraw/zinc/60/41/50/525604150.db2.gz LPBQCMYHEVEYIQ-VHSXEESVSA-N 1 1 294.196 3.584 10 0 CHAEMO C[C@H](Nc1ccc(N)[nH+]c1)c1cccc(Br)c1 ZINC000049564050 525655502 /nfs/dbraw/zinc/65/55/02/525655502.db2.gz NLIORZSZJJSSOC-VIFPVBQESA-N 1 1 292.180 3.599 10 0 CHAEMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000156597703 525670248 /nfs/dbraw/zinc/67/02/48/525670248.db2.gz WUMCPUAGAYJSLO-DNVCBOLYSA-N 1 1 289.382 3.917 10 0 CHAEMO Cc1ccc([C@@H](C)[N@H+]2Cc3ccc(N)cc3C2)s1 ZINC000049185847 525691465 /nfs/dbraw/zinc/69/14/65/525691465.db2.gz SZQGAQYOYJRRBZ-LLVKDONJSA-N 1 1 258.390 3.716 10 0 CHAEMO COc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157806443 525937850 /nfs/dbraw/zinc/93/78/50/525937850.db2.gz DTIBOBZZJIHBIB-CQSZACIVSA-N 1 1 288.416 3.531 10 0 CHAEMO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)NC[C@H]1c1ccccc1 ZINC000062671207 526095271 /nfs/dbraw/zinc/09/52/71/526095271.db2.gz WOVNUXXLHQIKTL-GJYPPUQNSA-N 1 1 280.415 3.783 10 0 CHAEMO C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)NC[C@H]1c1ccccc1 ZINC000062671207 526095278 /nfs/dbraw/zinc/09/52/78/526095278.db2.gz WOVNUXXLHQIKTL-GJYPPUQNSA-N 1 1 280.415 3.783 10 0 CHAEMO C[C@H]1CCCC[N@@H+]1Cc1c2ccccc2sc1CN ZINC000052378871 526251839 /nfs/dbraw/zinc/25/18/39/526251839.db2.gz BXRHYMKSLOYHNF-LBPRGKRZSA-N 1 1 274.433 3.734 10 0 CHAEMO C[C@H]1CCCC[N@H+]1Cc1c2ccccc2sc1CN ZINC000052378871 526251843 /nfs/dbraw/zinc/25/18/43/526251843.db2.gz BXRHYMKSLOYHNF-LBPRGKRZSA-N 1 1 274.433 3.734 10 0 CHAEMO Fc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000157016227 526333399 /nfs/dbraw/zinc/33/33/99/526333399.db2.gz AZLVPUVKDIXEGK-ZDUSSCGKSA-N 1 1 276.380 3.662 10 0 CHAEMO Cc1nc([C@H](C)[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000036915314 527067162 /nfs/dbraw/zinc/06/71/62/527067162.db2.gz KMFPOOLBLYKESX-HZMBPMFUSA-N 1 1 258.390 3.790 10 0 CHAEMO CC[N@H+](Cc1cc(N)ccc1Br)CC(C)C ZINC000149896255 566906157 /nfs/dbraw/zinc/90/61/57/566906157.db2.gz RFAIYUVENBCFGZ-UHFFFAOYSA-N 1 1 285.229 3.509 10 0 CHAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(N)ccc1Br ZINC000128393334 567034947 /nfs/dbraw/zinc/03/49/47/567034947.db2.gz BHDGEMDZBJDLGD-WDEREUQCSA-N 1 1 297.240 3.652 10 0 CHAEMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000194746543 1125557410 /nfs/dbraw/zinc/55/74/10/1125557410.db2.gz WXDFSNLZOKOIGH-ZDUSSCGKSA-N 1 1 269.392 3.603 10 0 CHAEMO Cc1ccc2nc([C@H]3CCC[N@@H+](C4CCC4)C3)[nH]c2c1 ZINC000194746543 1125557413 /nfs/dbraw/zinc/55/74/13/1125557413.db2.gz WXDFSNLZOKOIGH-ZDUSSCGKSA-N 1 1 269.392 3.603 10 0 CHAEMO Cc1ccc2nc([C@H]3CCC[N@H+](C4CCC4)C3)[nH]c2c1 ZINC000194746543 1125557420 /nfs/dbraw/zinc/55/74/20/1125557420.db2.gz WXDFSNLZOKOIGH-ZDUSSCGKSA-N 1 1 269.392 3.603 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000189761654 1126934768 /nfs/dbraw/zinc/93/47/68/1126934768.db2.gz QUSGMSDFMUJFMX-HNNXBMFYSA-N 1 1 258.390 3.789 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000189761654 1126934771 /nfs/dbraw/zinc/93/47/71/1126934771.db2.gz QUSGMSDFMUJFMX-HNNXBMFYSA-N 1 1 258.390 3.789 10 0 CHAEMO CC(=O)[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000095764184 185027476 /nfs/dbraw/zinc/02/74/76/185027476.db2.gz HPIOOTFKTKCKLG-RBUKOAKNSA-N 1 1 279.383 3.839 10 0 CHAEMO Cc1ccc2c(cc[nH+]c2Nc2cccc(N(C)C)c2)c1N ZINC000096846322 185117576 /nfs/dbraw/zinc/11/75/76/185117576.db2.gz TUTOVYIQFMMARY-UHFFFAOYSA-N 1 1 292.386 3.935 10 0 CHAEMO C[C@H](C[N@H+]1CCC[C@H](C)CC1)C(=O)c1ccccc1 ZINC000104360905 185983649 /nfs/dbraw/zinc/98/36/49/185983649.db2.gz LTBNDAXFJNDPPE-LSDHHAIUSA-N 1 1 259.393 3.627 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)CCc3ccccc3)C2)c1 ZINC000171529387 335069068 /nfs/dbraw/zinc/06/90/68/335069068.db2.gz AOJGTKKHWJOZMR-PKOBYXMFSA-N 1 1 297.446 3.850 10 0 CHAEMO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000005617799 170120617 /nfs/dbraw/zinc/12/06/17/170120617.db2.gz UFUZUKRLAOEYBT-GOSISDBHSA-N 1 1 251.373 3.985 10 0 CHAEMO O[C@@]1(c2ccc(C(F)(F)F)cc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000006093238 170175512 /nfs/dbraw/zinc/17/55/12/170175512.db2.gz SEWOUMHWEWDIHT-GJZGRUSLSA-N 1 1 299.336 3.541 10 0 CHAEMO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1 ZINC000020129309 171017486 /nfs/dbraw/zinc/01/74/86/171017486.db2.gz MEBXHYYUBTYHNN-YJBOKZPZSA-N 1 1 268.404 3.640 10 0 CHAEMO CC[C@@H]1CCCC[N@H+]1Cc1cc(N)ccc1Cl ZINC000020192562 171058667 /nfs/dbraw/zinc/05/86/67/171058667.db2.gz SIHUILSRMNWZMU-CYBMUJFWSA-N 1 1 252.789 3.687 10 0 CHAEMO C[N@H+](CCc1ccccc1)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225986 171090240 /nfs/dbraw/zinc/09/02/40/171090240.db2.gz PFPTUJTWGIHDAT-KRWDZBQOSA-N 1 1 288.822 3.514 10 0 CHAEMO C[N@@H+](CCc1ccccc1)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225986 171090243 /nfs/dbraw/zinc/09/02/43/171090243.db2.gz PFPTUJTWGIHDAT-KRWDZBQOSA-N 1 1 288.822 3.514 10 0 CHAEMO C[N@H+](CCc1ccccc1)[C@H](CN)c1cccc(Cl)c1 ZINC000020225987 171090418 /nfs/dbraw/zinc/09/04/18/171090418.db2.gz PFPTUJTWGIHDAT-QGZVFWFLSA-N 1 1 288.822 3.514 10 0 CHAEMO C[N@@H+](CCc1ccccc1)[C@H](CN)c1cccc(Cl)c1 ZINC000020225987 171090419 /nfs/dbraw/zinc/09/04/19/171090419.db2.gz PFPTUJTWGIHDAT-QGZVFWFLSA-N 1 1 288.822 3.514 10 0 CHAEMO CCOc1ccccc1[C@H](CN)[N@H+](C)CC1CCCCC1 ZINC000020226167 171090429 /nfs/dbraw/zinc/09/04/29/171090429.db2.gz MJJYSALSHDCHRS-KRWDZBQOSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1ccccc1[C@H](CN)[N@@H+](C)CC1CCCCC1 ZINC000020226167 171090431 /nfs/dbraw/zinc/09/04/31/171090431.db2.gz MJJYSALSHDCHRS-KRWDZBQOSA-N 1 1 290.451 3.597 10 0 CHAEMO CCCCN(CCCC)[C@H](C[NH3+])c1ccsc1 ZINC000020484697 171224148 /nfs/dbraw/zinc/22/41/48/171224148.db2.gz OALHRHFFYXCQCY-CQSZACIVSA-N 1 1 254.443 3.650 10 0 CHAEMO CCCCN(CCCC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000020484784 171224271 /nfs/dbraw/zinc/22/42/71/171224271.db2.gz SLONTFKTRYGLRJ-KRWDZBQOSA-N 1 1 278.440 3.597 10 0 CHAEMO CCCCN(CCCC)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000020484761 171224654 /nfs/dbraw/zinc/22/46/54/171224654.db2.gz UJPHUTBRHZFWFI-KRWDZBQOSA-N 1 1 278.440 3.597 10 0 CHAEMO C[C@H]1CCC[N@H+](C2(CN)CCC(c3ccccc3)CC2)C1 ZINC000020547862 171245060 /nfs/dbraw/zinc/24/50/60/171245060.db2.gz XVCSDVUNULJHKM-IVMQYODDSA-N 1 1 286.463 3.774 10 0 CHAEMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000020595757 171264608 /nfs/dbraw/zinc/26/46/08/171264608.db2.gz BZQNELLAFKHXQM-GOSISDBHSA-N 1 1 280.415 3.990 10 0 CHAEMO COc1c(Cl)cc(C[NH2+]Cc2ccccn2)cc1Cl ZINC000020928589 171280536 /nfs/dbraw/zinc/28/05/36/171280536.db2.gz ICYVGILWQHRMMO-UHFFFAOYSA-N 1 1 297.185 3.687 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027046 171291345 /nfs/dbraw/zinc/29/13/45/171291345.db2.gz ISLDIGDXLBNQAF-IVSAIRAKSA-N 1 1 266.473 3.508 10 0 CHAEMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000021047074 171294655 /nfs/dbraw/zinc/29/46/55/171294655.db2.gz QTACKTQGHNRGKW-SQNIBIBYSA-N 1 1 280.500 3.913 10 0 CHAEMO CCCOc1ccc([C@@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021787183 171322776 /nfs/dbraw/zinc/32/27/76/171322776.db2.gz ZFSQNEFHDACCCD-DAYGRLMNSA-N 1 1 290.451 3.738 10 0 CHAEMO CCCOc1ccc([C@@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021787183 171322777 /nfs/dbraw/zinc/32/27/77/171322777.db2.gz ZFSQNEFHDACCCD-DAYGRLMNSA-N 1 1 290.451 3.738 10 0 CHAEMO CCCOc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021787187 171322780 /nfs/dbraw/zinc/32/27/80/171322780.db2.gz ZFSQNEFHDACCCD-RVKKMQEKSA-N 1 1 290.451 3.738 10 0 CHAEMO CCCOc1ccc([C@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021787187 171322782 /nfs/dbraw/zinc/32/27/82/171322782.db2.gz ZFSQNEFHDACCCD-RVKKMQEKSA-N 1 1 290.451 3.738 10 0 CHAEMO CC(C)C[C@@H](CN[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC000021789918 171323404 /nfs/dbraw/zinc/32/34/04/171323404.db2.gz BLHJVGDXNQKZBM-BBRMVZONSA-N 1 1 282.859 3.967 10 0 CHAEMO CC(C)[C@H](CN[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000021817805 171333391 /nfs/dbraw/zinc/33/33/91/171333391.db2.gz ASCPOCGCMSZARP-DOMZBBRYSA-N 1 1 268.832 3.577 10 0 CHAEMO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](CC(C)C)CN1 ZINC000021986730 171345839 /nfs/dbraw/zinc/34/58/39/171345839.db2.gz LEAGHBKQXMGUNR-MOPGFXCFSA-N 1 1 288.479 3.921 10 0 CHAEMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](CC(C)C)CN1 ZINC000021986730 171345840 /nfs/dbraw/zinc/34/58/40/171345840.db2.gz LEAGHBKQXMGUNR-MOPGFXCFSA-N 1 1 288.479 3.921 10 0 CHAEMO CC[N@@H+]([C@@H](CN)c1sccc1C)C1CCCCC1 ZINC000022163543 171364765 /nfs/dbraw/zinc/36/47/65/171364765.db2.gz LWOPOQCZKRBTIE-AWEZNQCLSA-N 1 1 266.454 3.711 10 0 CHAEMO C[N@@H+]([C@@H](CN)c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000022211098 171373344 /nfs/dbraw/zinc/37/33/44/171373344.db2.gz SCYROBNBRTWKKP-HNNXBMFYSA-N 1 1 298.377 3.552 10 0 CHAEMO CN([C@@H](C[NH3+])c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000022211098 171373346 /nfs/dbraw/zinc/37/33/46/171373346.db2.gz SCYROBNBRTWKKP-HNNXBMFYSA-N 1 1 298.377 3.552 10 0 CHAEMO CC1CCN(C[C@@H]([NH3+])c2cccc3ccccc32)CC1 ZINC000022563656 171391051 /nfs/dbraw/zinc/39/10/51/171391051.db2.gz MFCNNYHJCRUSDA-GOSISDBHSA-N 1 1 268.404 3.572 10 0 CHAEMO COc1ccc2c(C)c([C@H]([NH3+])c3cccs3)oc2c1 ZINC000034972243 171908528 /nfs/dbraw/zinc/90/85/28/171908528.db2.gz JHTYVCIPUYGZMZ-CQSZACIVSA-N 1 1 273.357 3.859 10 0 CHAEMO CC[NH2+][C@H](c1ccoc1C)c1cc(F)ccc1F ZINC000035543424 172251690 /nfs/dbraw/zinc/25/16/90/172251690.db2.gz JQZKIBQALHJDEY-CQSZACIVSA-N 1 1 251.276 3.565 10 0 CHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](C)Cc1cccs1 ZINC000035717221 172370909 /nfs/dbraw/zinc/37/09/09/172370909.db2.gz KNLUIWVRZCWCRN-HIFRSBDPSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+](C)Cc1cccs1 ZINC000035717221 172370910 /nfs/dbraw/zinc/37/09/10/172370910.db2.gz KNLUIWVRZCWCRN-HIFRSBDPSA-N 1 1 268.470 3.724 10 0 CHAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)c(OC)c1 ZINC000035738771 172392507 /nfs/dbraw/zinc/39/25/07/172392507.db2.gz KEGQTEOCAJUEDO-VXGBXAGGSA-N 1 1 275.348 3.709 10 0 CHAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccc(F)cc2)C1 ZINC000037209958 173031444 /nfs/dbraw/zinc/03/14/44/173031444.db2.gz IUXYDFTZYJIZBH-KGLIPLIRSA-N 1 1 264.388 3.748 10 0 CHAEMO Clc1ccc([C@@H]([NH2+]C[C@H]2CCCO2)c2ccco2)s1 ZINC000037215276 173035080 /nfs/dbraw/zinc/03/50/80/173035080.db2.gz XZLUKZKZPQGDRM-YGRLFVJLSA-N 1 1 297.807 3.853 10 0 CHAEMO CCc1ccc([C@@H](N)[C@@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC000037223836 173044473 /nfs/dbraw/zinc/04/44/73/173044473.db2.gz HBSZOGHBUKUVFY-PBHICJAKSA-N 1 1 262.441 3.615 10 0 CHAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)c(F)c1 ZINC000037260328 173070723 /nfs/dbraw/zinc/07/07/23/173070723.db2.gz OUKZBRHLVNVYPL-GHMZBOCLSA-N 1 1 263.312 3.839 10 0 CHAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)c(F)c1 ZINC000037260324 173070838 /nfs/dbraw/zinc/07/08/38/173070838.db2.gz OUKZBRHLVNVYPL-MNOVXSKESA-N 1 1 263.312 3.839 10 0 CHAEMO CCC[N@@H+](C(C)C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037335207 173137089 /nfs/dbraw/zinc/13/70/89/173137089.db2.gz PNAMVSFUJASBPG-HNNXBMFYSA-N 1 1 261.409 3.995 10 0 CHAEMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037339031 173139741 /nfs/dbraw/zinc/13/97/41/173139741.db2.gz FBKNCOYXZNBOMN-GFCCVEGCSA-N 1 1 259.349 3.592 10 0 CHAEMO CC[C@H](NC[C@H](C)[NH+]1CCCCC1)c1ccccc1OC ZINC000038028976 174018887 /nfs/dbraw/zinc/01/88/87/174018887.db2.gz ZEOCCVYTOXEEPD-RDJZCZTQSA-N 1 1 290.451 3.610 10 0 CHAEMO CC[C@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041820 174043444 /nfs/dbraw/zinc/04/34/44/174043444.db2.gz OTNYTRFWHQOIDR-QAPCUYQASA-N 1 1 292.442 3.988 10 0 CHAEMO CC[C@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041680 174043647 /nfs/dbraw/zinc/04/36/47/174043647.db2.gz PZCLTCQBNDFLJN-QAPCUYQASA-N 1 1 290.451 3.555 10 0 CHAEMO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000038041752 174043665 /nfs/dbraw/zinc/04/36/65/174043665.db2.gz RADDHTBCYBGGPR-DLBZAZTESA-N 1 1 274.452 3.768 10 0 CHAEMO CC(C)(C)c1ccc([C@@H](C[NH3+])N2CCCCCC2)cc1 ZINC000039148483 174164481 /nfs/dbraw/zinc/16/44/81/174164481.db2.gz XEKRDIOCDHMSRU-QGZVFWFLSA-N 1 1 274.452 3.860 10 0 CHAEMO CCCCC[N@@H+](Cc1ccc(OC)c(N)c1)C(C)C ZINC000042553685 174791369 /nfs/dbraw/zinc/79/13/69/174791369.db2.gz XHKCXAXQNBIFTO-UHFFFAOYSA-N 1 1 264.413 3.678 10 0 CHAEMO Cc1ccc([C@@H]([C@H](C)N)[N@@H+](CC2CC2)C(C)C)cc1 ZINC000042909817 174910028 /nfs/dbraw/zinc/91/00/28/174910028.db2.gz ODIYDZOOFFEVMC-WMLDXEAASA-N 1 1 260.425 3.504 10 0 CHAEMO Cc1cc(C)c([C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000044116162 175141662 /nfs/dbraw/zinc/14/16/62/175141662.db2.gz AQIATWOQPRBFNJ-HOTGVXAUSA-N 1 1 261.409 3.520 10 0 CHAEMO Cc1ccc([C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000044121803 175143440 /nfs/dbraw/zinc/14/34/40/175143440.db2.gz GPMJRLGIOJCSKF-HLLBOEOZSA-N 1 1 261.409 3.600 10 0 CHAEMO CCCOc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000044129024 175144697 /nfs/dbraw/zinc/14/46/97/175144697.db2.gz DIMQUWBYQDHHGA-WMZOPIPTSA-N 1 1 291.435 3.773 10 0 CHAEMO C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357511 176376241 /nfs/dbraw/zinc/37/62/41/176376241.db2.gz BAFVYKRDRIOISR-QGZVFWFLSA-N 1 1 270.351 3.578 10 0 CHAEMO Cc1n[nH]c2c1[C@@H]([NH3+])C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000072415304 176399260 /nfs/dbraw/zinc/39/92/60/176399260.db2.gz VTLNNIHHJQNJLP-CABCVRRESA-N 1 1 269.392 3.571 10 0 CHAEMO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640400 335073030 /nfs/dbraw/zinc/07/30/30/335073030.db2.gz GWRNHEXIQOGCNH-AEFFLSMTSA-N 1 1 295.430 3.967 10 0 CHAEMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCS[C@@H](C)C2)c1C ZINC000171699324 335074950 /nfs/dbraw/zinc/07/49/50/335074950.db2.gz GNFVCCGMJBWKBO-ZDUSSCGKSA-N 1 1 291.460 3.752 10 0 CHAEMO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000329151480 227329872 /nfs/dbraw/zinc/32/98/72/227329872.db2.gz SIXJWAYOCUUAAW-UBHSHLNASA-N 1 1 285.391 3.574 10 0 CHAEMO CC(C)(C)[NH+]1CCC(N[C@H]2CCCc3ccccc32)CC1 ZINC000037786561 260118180 /nfs/dbraw/zinc/11/81/80/260118180.db2.gz ARJYULYWOROYRU-SFHVURJKSA-N 1 1 286.463 3.917 10 0 CHAEMO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000037786561 260118181 /nfs/dbraw/zinc/11/81/81/260118181.db2.gz ARJYULYWOROYRU-SFHVURJKSA-N 1 1 286.463 3.917 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1nccs1 ZINC000091730811 260483680 /nfs/dbraw/zinc/48/36/80/260483680.db2.gz DYNBSQWJGVKMMJ-STQMWFEESA-N 1 1 298.415 3.741 10 0 CHAEMO C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173647809 261167444 /nfs/dbraw/zinc/16/74/44/261167444.db2.gz UKGJDALPLICUPN-MLGOLLRUSA-N 1 1 289.810 3.972 10 0 CHAEMO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000173779097 261169449 /nfs/dbraw/zinc/16/94/49/261169449.db2.gz KWDFXHRGSIQMFP-IAGOWNOFSA-N 1 1 295.430 3.885 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCCc1ccccc1C ZINC000175911877 261252579 /nfs/dbraw/zinc/25/25/79/261252579.db2.gz DWXNZDLDWATYDZ-IBGZPJMESA-N 1 1 297.446 3.597 10 0 CHAEMO CC[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000104688124 261297847 /nfs/dbraw/zinc/29/78/47/261297847.db2.gz LBHKJXSKQKDOLB-LBPRGKRZSA-N 1 1 274.364 3.581 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000106225651 261323680 /nfs/dbraw/zinc/32/36/80/261323680.db2.gz JXXSRJCPIWYJPB-INIZCTEOSA-N 1 1 289.810 3.682 10 0 CHAEMO CCCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164653684 261356742 /nfs/dbraw/zinc/35/67/42/261356742.db2.gz VLMZENDYCPKEMH-RHSMWYFYSA-N 1 1 298.434 3.806 10 0 CHAEMO CC(C)n1ccnc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181415766 261897320 /nfs/dbraw/zinc/89/73/20/261897320.db2.gz JQEYUFHNSRAZSJ-LBPRGKRZSA-N 1 1 277.799 3.968 10 0 CHAEMO CC(C)(C)SCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000311733370 262339862 /nfs/dbraw/zinc/33/98/62/262339862.db2.gz PALOGSVXZLVWGP-KFWWJZLASA-N 1 1 285.497 3.534 10 0 CHAEMO CC(C)C[C@@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270097 262342275 /nfs/dbraw/zinc/34/22/75/262342275.db2.gz IMGUAFHCPNCEQZ-DLUQRMLASA-N 1 1 289.423 3.583 10 0 CHAEMO Clc1ncc(C[N@H+]2C[C@H]3CCCCC[C@@H]32)s1 ZINC000363037928 267073953 /nfs/dbraw/zinc/07/39/53/267073953.db2.gz PYRYKPMMJISWBY-KOLCDFICSA-N 1 1 256.802 3.561 10 0 CHAEMO Clc1ncc(C[N@@H+]2C[C@H]3CCCCC[C@@H]32)s1 ZINC000363037928 267073949 /nfs/dbraw/zinc/07/39/49/267073949.db2.gz PYRYKPMMJISWBY-KOLCDFICSA-N 1 1 256.802 3.561 10 0 CHAEMO Fc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116293014 267137751 /nfs/dbraw/zinc/13/77/51/267137751.db2.gz OUHRBDIVNJAKLC-OAHLLOKOSA-N 1 1 275.323 3.635 10 0 CHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000119280546 267314497 /nfs/dbraw/zinc/31/44/97/267314497.db2.gz UYRFLFZVSFHQQB-MRXNPFEDSA-N 1 1 275.440 3.754 10 0 CHAEMO CC[C@H](C)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000119589036 267346395 /nfs/dbraw/zinc/34/63/95/267346395.db2.gz OBEDWSLFPFICDK-AAEUAGOBSA-N 1 1 252.427 3.677 10 0 CHAEMO CCc1ccc([C@@H](C)NCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000049856239 328380314 /nfs/dbraw/zinc/38/03/14/328380314.db2.gz LQWZTHQSZSBDBZ-QAPCUYQASA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000049856239 328380316 /nfs/dbraw/zinc/38/03/16/328380316.db2.gz LQWZTHQSZSBDBZ-QAPCUYQASA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000049856239 328380317 /nfs/dbraw/zinc/38/03/17/328380317.db2.gz LQWZTHQSZSBDBZ-QAPCUYQASA-N 1 1 274.452 3.774 10 0 CHAEMO CCS[C@H]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000230471987 328514145 /nfs/dbraw/zinc/51/41/45/328514145.db2.gz MQEBKAYVMMAFIA-MNOVXSKESA-N 1 1 261.394 3.649 10 0 CHAEMO Cc1cnn(CCNc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000172151148 329081699 /nfs/dbraw/zinc/08/16/99/329081699.db2.gz SFJMXHOADWWULL-UHFFFAOYSA-N 1 1 286.766 3.505 10 0 CHAEMO CCc1ccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000172247991 329084221 /nfs/dbraw/zinc/08/42/21/329084221.db2.gz DEVFOIAOEMHCMV-SFHVURJKSA-N 1 1 283.419 3.591 10 0 CHAEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685495 329178176 /nfs/dbraw/zinc/17/81/76/329178176.db2.gz FTRSWYDIGDQVOX-CJNGLKHVSA-N 1 1 298.434 3.761 10 0 CHAEMO Cc1csc([C@@H]2CCCN(c3cc[nH+]cc3Cl)C2)n1 ZINC000176886639 329179477 /nfs/dbraw/zinc/17/94/77/329179477.db2.gz OXWFFQDQEXDNBX-LLVKDONJSA-N 1 1 293.823 3.884 10 0 CHAEMO C[C@H]1c2cccn2CC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184412843 329257698 /nfs/dbraw/zinc/25/76/98/329257698.db2.gz HGCFXGLULJJBDN-VIFPVBQESA-N 1 1 281.614 3.625 10 0 CHAEMO CCC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130760443 329627585 /nfs/dbraw/zinc/62/75/85/329627585.db2.gz KLJHZIUYUCDSRY-GDBMZVCRSA-N 1 1 298.434 3.806 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c(C)c1 ZINC000131044822 329631100 /nfs/dbraw/zinc/63/11/00/329631100.db2.gz ROSQVBDGCCWYNH-CABCVRRESA-N 1 1 298.434 3.643 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(C)c1 ZINC000131045258 329631257 /nfs/dbraw/zinc/63/12/57/329631257.db2.gz ROSQVBDGCCWYNH-HUUCEWRRSA-N 1 1 298.434 3.643 10 0 CHAEMO CCN1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964086 330397416 /nfs/dbraw/zinc/39/74/16/330397416.db2.gz SZLJOOBDRCUGCN-JEBQAFNWSA-N 1 1 290.426 3.523 10 0 CHAEMO CC(C)(C)c1ccc(CN2CCCC[C@H]2CC[NH3+])s1 ZINC000166174395 331306669 /nfs/dbraw/zinc/30/66/69/331306669.db2.gz MSADWQSDGLRFJH-ZDUSSCGKSA-N 1 1 280.481 3.749 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3C)C2)c1 ZINC000248183721 334296799 /nfs/dbraw/zinc/29/67/99/334296799.db2.gz WXVVIOKKAZJZGL-IAGOWNOFSA-N 1 1 283.419 3.898 10 0 CHAEMO C[C@@H]1C[C@H]1Nc1cc[nH+]c2c(Br)cccc12 ZINC000309794769 333049649 /nfs/dbraw/zinc/04/96/49/333049649.db2.gz PWYHMSCKTWJHPK-PRHODGIISA-N 1 1 277.165 3.818 10 0 CHAEMO C[C@H]1C[C@H]1Nc1cc[nH+]c2cc(Br)ccc12 ZINC000309812884 333050001 /nfs/dbraw/zinc/05/00/01/333050001.db2.gz UPZPEDGDULQAOD-QPUJVOFHSA-N 1 1 277.165 3.818 10 0 CHAEMO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cccc(Cl)c1F ZINC000187410864 333170603 /nfs/dbraw/zinc/17/06/03/333170603.db2.gz LQXSHPOKIDVROE-XHDPSFHLSA-N 1 1 293.769 3.863 10 0 CHAEMO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2C)o1 ZINC000227556143 333285478 /nfs/dbraw/zinc/28/54/78/333285478.db2.gz FJQJXDVFQTVKCG-CQSZACIVSA-N 1 1 258.365 3.759 10 0 CHAEMO COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000245641432 334209948 /nfs/dbraw/zinc/20/99/48/334209948.db2.gz DNZABTPKPNHLED-BEFAXECRSA-N 1 1 298.430 3.974 10 0 CHAEMO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248145341 334295954 /nfs/dbraw/zinc/29/59/54/334295954.db2.gz QCIQGPCLUAKKIO-KMFMINBZSA-N 1 1 277.383 3.514 10 0 CHAEMO Cc1csc([C@H]2CCC[N@@H+](CC3CCCC3)C2)n1 ZINC000195441142 336053788 /nfs/dbraw/zinc/05/37/88/336053788.db2.gz IEICSBXCSLIANF-AWEZNQCLSA-N 1 1 264.438 3.821 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H]1C=CCCCCC1 ZINC000383499405 336111008 /nfs/dbraw/zinc/11/10/08/336111008.db2.gz ZMYJGFCJGAZNSI-XWTMOSNGSA-N 1 1 277.452 3.891 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCC1=CCCCC1)CC2 ZINC000385153867 336141066 /nfs/dbraw/zinc/14/10/66/336141066.db2.gz KNBPWNDBUOCKCZ-IRXDYDNUSA-N 1 1 263.425 3.504 10 0 CHAEMO CC[NH2+]C1CCN([C@H](c2cccs2)C(C)C)CC1 ZINC000049557867 519909898 /nfs/dbraw/zinc/90/98/98/519909898.db2.gz QEXSUYKTGUXSLI-HNNXBMFYSA-N 1 1 266.454 3.519 10 0 CHAEMO CCCCCC[N@H+]1C[C@@H](C)NC[C@@H]1c1ccccc1 ZINC000062657401 520079800 /nfs/dbraw/zinc/07/98/00/520079800.db2.gz QALXEBRFMFPQJU-NVXWUHKLSA-N 1 1 260.425 3.602 10 0 CHAEMO CCCCCCN1C[C@@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062657401 520079805 /nfs/dbraw/zinc/07/98/05/520079805.db2.gz QALXEBRFMFPQJU-NVXWUHKLSA-N 1 1 260.425 3.602 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000061639095 520308475 /nfs/dbraw/zinc/30/84/75/520308475.db2.gz YUVJHODTRWPSTN-NEPJUHHUSA-N 1 1 281.831 3.787 10 0 CHAEMO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@H+]1C1CCCCC1 ZINC000062663216 519414388 /nfs/dbraw/zinc/41/43/88/519414388.db2.gz GYKUNEHVVSUGLH-DLBZAZTESA-N 1 1 266.473 3.664 10 0 CHAEMO CC(C)[N@H+]1C[C@@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062671218 519695003 /nfs/dbraw/zinc/69/50/03/519695003.db2.gz NPMJBVQAEFZYPU-RBUKOAKNSA-N 1 1 280.415 3.783 10 0 CHAEMO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccsc1 ZINC000061367291 519908797 /nfs/dbraw/zinc/90/87/97/519908797.db2.gz KJUGLRQSTLNXQA-WWTUQBGBSA-N 1 1 278.465 3.804 10 0 CHAEMO CCCCCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000157739402 520076934 /nfs/dbraw/zinc/07/69/34/520076934.db2.gz BZJNZQPZNYNNQX-OAHLLOKOSA-N 1 1 290.455 3.722 10 0 CHAEMO CCCCCC[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062657662 520080821 /nfs/dbraw/zinc/08/08/21/520080821.db2.gz CCAIXVCFJCARKV-KRWDZBQOSA-N 1 1 260.425 3.603 10 0 CHAEMO CC1(C)C[C@@H]([NH2+]Cc2ccco2)c2ccccc2O1 ZINC000126885988 520524387 /nfs/dbraw/zinc/52/43/87/520524387.db2.gz PJESHDNMGALVRG-CQSZACIVSA-N 1 1 257.333 3.672 10 0 CHAEMO CCCC[C@H](NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000054111319 521239239 /nfs/dbraw/zinc/23/92/39/521239239.db2.gz MURKPBDEXWSVPZ-KRWDZBQOSA-N 1 1 262.441 3.848 10 0 CHAEMO CCCC[C@H](NCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000054111319 521239246 /nfs/dbraw/zinc/23/92/46/521239246.db2.gz MURKPBDEXWSVPZ-KRWDZBQOSA-N 1 1 262.441 3.848 10 0 CHAEMO CCC(C)(C)C1CCC([NH2+]Cc2c[nH]c(C)n2)CC1 ZINC000054821657 521278408 /nfs/dbraw/zinc/27/84/08/521278408.db2.gz YIBXJEBFIGFLEO-UHFFFAOYSA-N 1 1 263.429 3.803 10 0 CHAEMO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)c1ccccc1 ZINC000049537688 521409877 /nfs/dbraw/zinc/40/98/77/521409877.db2.gz COPJPNBEHYKJRA-CYBMUJFWSA-N 1 1 273.401 3.841 10 0 CHAEMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)c1ccccc1 ZINC000049537688 521409886 /nfs/dbraw/zinc/40/98/86/521409886.db2.gz COPJPNBEHYKJRA-CYBMUJFWSA-N 1 1 273.401 3.841 10 0 CHAEMO CCc1[nH+]c2cc(N)ccc2n1-c1cccc(Cl)c1 ZINC000052842752 522488158 /nfs/dbraw/zinc/48/81/58/522488158.db2.gz GSPRZPLVFYOWFV-UHFFFAOYSA-N 1 1 271.751 3.824 10 0 CHAEMO CCc1nccn1[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000119286749 522600040 /nfs/dbraw/zinc/60/00/40/522600040.db2.gz UEQMFGIILBEYEL-INIZCTEOSA-N 1 1 275.440 3.663 10 0 CHAEMO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000068695216 523321881 /nfs/dbraw/zinc/32/18/81/523321881.db2.gz AQCQJADTAWDONU-ROUUACIJSA-N 1 1 274.452 3.512 10 0 CHAEMO CC[C@H]1CN[C@H](C(C)C)C[N@H+]1Cc1ccc(C)c(C)c1 ZINC000068695216 523321891 /nfs/dbraw/zinc/32/18/91/523321891.db2.gz AQCQJADTAWDONU-ROUUACIJSA-N 1 1 274.452 3.512 10 0 CHAEMO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000068695218 523486896 /nfs/dbraw/zinc/48/68/96/523486896.db2.gz AQCQJADTAWDONU-QZTJIDSGSA-N 1 1 274.452 3.512 10 0 CHAEMO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1Cc1ccc(C)c(C)c1 ZINC000068695218 523486901 /nfs/dbraw/zinc/48/69/01/523486901.db2.gz AQCQJADTAWDONU-QZTJIDSGSA-N 1 1 274.452 3.512 10 0 CHAEMO C[C@@H]1CCCC[N@@H+]1Cc1c2ccccc2sc1CN ZINC000052378869 524114769 /nfs/dbraw/zinc/11/47/69/524114769.db2.gz BXRHYMKSLOYHNF-GFCCVEGCSA-N 1 1 274.433 3.734 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1Cc1c2ccccc2sc1CN ZINC000052378869 524114774 /nfs/dbraw/zinc/11/47/74/524114774.db2.gz BXRHYMKSLOYHNF-GFCCVEGCSA-N 1 1 274.433 3.734 10 0 CHAEMO Cc1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)[nH+]1 ZINC000156981656 524695561 /nfs/dbraw/zinc/69/55/61/524695561.db2.gz RYUYABDHZKVENL-WDEREUQCSA-N 1 1 258.287 3.923 10 0 CHAEMO Cc1cc([C@H]([NH2+]C(C)C)c2nccs2)ccc1F ZINC000050559449 525537303 /nfs/dbraw/zinc/53/73/03/525537303.db2.gz FWEYYQKNPOXAJJ-ZDUSSCGKSA-N 1 1 264.369 3.678 10 0 CHAEMO Cc1ccc([C@H](C)[N@H+]2Cc3cccc(N)c3C2)s1 ZINC000049185846 525883814 /nfs/dbraw/zinc/88/38/14/525883814.db2.gz ATMUQAPUEHJYBK-NSHDSACASA-N 1 1 258.390 3.716 10 0 CHAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443195 526261199 /nfs/dbraw/zinc/26/11/99/526261199.db2.gz UPURDWRUOICJRC-XHDPSFHLSA-N 1 1 266.816 3.933 10 0 CHAEMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157007503 526383943 /nfs/dbraw/zinc/38/39/43/526383943.db2.gz ICQZVIBLNILPJS-CYBMUJFWSA-N 1 1 276.380 3.662 10 0 CHAEMO c1csc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127730679 526578891 /nfs/dbraw/zinc/57/88/91/526578891.db2.gz ACILPCOLPTXHDB-GFCCVEGCSA-N 1 1 264.419 3.932 10 0 CHAEMO c1csc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127730679 526578898 /nfs/dbraw/zinc/57/88/98/526578898.db2.gz ACILPCOLPTXHDB-GFCCVEGCSA-N 1 1 264.419 3.932 10 0 CHAEMO Cc1[nH+]c2cc(N)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000052852013 527122421 /nfs/dbraw/zinc/12/24/21/527122421.db2.gz ZRBVSQLFYDZRLI-UHFFFAOYSA-N 1 1 291.276 3.935 10 0 CHAEMO Cc1[nH+]ccn1CCNc1cc(Cl)ccc1Cl ZINC000049329705 527433452 /nfs/dbraw/zinc/43/34/52/527433452.db2.gz YMWMHKPKKSNQGM-UHFFFAOYSA-N 1 1 270.163 3.610 10 0 CHAEMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC(C)(C)O)o1 ZINC000036115492 566993705 /nfs/dbraw/zinc/99/37/05/566993705.db2.gz KYKRHZHZKJKIPI-UHFFFAOYSA-N 1 1 291.366 3.500 10 0 CHAEMO C[C@@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013468186 567866327 /nfs/dbraw/zinc/86/63/27/567866327.db2.gz FAHFBUDMUKEFDS-FCLVOEFKSA-N 1 1 281.399 3.802 10 0 CHAEMO CCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000065286069 567875982 /nfs/dbraw/zinc/87/59/82/567875982.db2.gz XUJMAZHPRRHSDW-OAHLLOKOSA-N 1 1 285.391 3.982 10 0 CHAEMO CCCOc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000057353415 567894942 /nfs/dbraw/zinc/89/49/42/567894942.db2.gz OVQPPRHRCUDCRG-UHFFFAOYSA-N 1 1 295.386 3.642 10 0 CHAEMO Cc1ccc(Nc2cc(C)c(N)c[nH+]2)c(Br)c1 ZINC000082586893 178123660 /nfs/dbraw/zinc/12/36/60/178123660.db2.gz KNLGLQBKXHHWMC-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1cc(Cl)ccc1Cl ZINC000096795252 185114950 /nfs/dbraw/zinc/11/49/50/185114950.db2.gz LNZHTNNOACEDKT-LBPRGKRZSA-N 1 1 299.226 3.987 10 0 CHAEMO COc1ccc(C(=O)c2ccccc2)cc1C[NH+]1CCCC1 ZINC000002001513 169766507 /nfs/dbraw/zinc/76/65/07/169766507.db2.gz BXFUGJYXDNMLFQ-UHFFFAOYSA-N 1 1 295.382 3.522 10 0 CHAEMO Oc1cccc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000006096175 170176070 /nfs/dbraw/zinc/17/60/70/170176070.db2.gz HGPMWSZMWSQMKY-SFHVURJKSA-N 1 1 281.399 3.814 10 0 CHAEMO CC[N@@H+]([C@@H](CN)c1ccc(C)cc1)C1CCCCC1 ZINC000020081795 170986477 /nfs/dbraw/zinc/98/64/77/170986477.db2.gz DWGGVMQIQNBRAD-KRWDZBQOSA-N 1 1 260.425 3.649 10 0 CHAEMO CC[N@@H+]([C@@H](CN)c1cccc(C)c1)C1CCCCC1 ZINC000020081801 170986751 /nfs/dbraw/zinc/98/67/51/170986751.db2.gz ZBJSARTVWTWVPD-KRWDZBQOSA-N 1 1 260.425 3.649 10 0 CHAEMO Cc1ccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225579 171089098 /nfs/dbraw/zinc/08/90/98/171089098.db2.gz AVSPIMBPIWVNCD-QGZVFWFLSA-N 1 1 260.425 3.507 10 0 CHAEMO Cc1ccc([C@@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020225579 171089101 /nfs/dbraw/zinc/08/91/01/171089101.db2.gz AVSPIMBPIWVNCD-QGZVFWFLSA-N 1 1 260.425 3.507 10 0 CHAEMO CCCCCCNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020360494 171158977 /nfs/dbraw/zinc/15/89/77/171158977.db2.gz YWTUIWGCFNWSKL-UHFFFAOYSA-N 1 1 276.424 3.511 10 0 CHAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000020369100 171166799 /nfs/dbraw/zinc/16/67/99/171166799.db2.gz GQHYAMJGLNRFTH-HNNXBMFYSA-N 1 1 259.255 3.759 10 0 CHAEMO Nc1ccc(NCCc2ccc(Cl)cc2Cl)[nH+]c1 ZINC000020383240 171173435 /nfs/dbraw/zinc/17/34/35/171173435.db2.gz TWHRYFISZRECJA-UHFFFAOYSA-N 1 1 282.174 3.625 10 0 CHAEMO Cc1cccc2cc([C@@H]([NH3+])c3ccc(F)cc3)oc21 ZINC000020389198 171177980 /nfs/dbraw/zinc/17/79/80/171177980.db2.gz BRPCCYMLHKVURY-HNNXBMFYSA-N 1 1 255.292 3.928 10 0 CHAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1cccc(Cl)c1F)C2 ZINC000020524069 171236469 /nfs/dbraw/zinc/23/64/69/171236469.db2.gz QPDWMRZKMCFEBH-FGWVZKOKSA-N 1 1 268.763 3.516 10 0 CHAEMO C[C@H]1CCC[N@H+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000020549639 171246084 /nfs/dbraw/zinc/24/60/84/171246084.db2.gz IURKWGSOTKAMQA-UQPPLGOBSA-N 1 1 266.473 3.652 10 0 CHAEMO Fc1cccc(F)c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020596030 171264402 /nfs/dbraw/zinc/26/44/02/171264402.db2.gz CFBRQCAIKJFQGT-CQSZACIVSA-N 1 1 288.341 3.651 10 0 CHAEMO CN(C)CC(C)(C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000021029024 171291756 /nfs/dbraw/zinc/29/17/56/171291756.db2.gz WJSBUGDVWQXRIA-KRWDZBQOSA-N 1 1 274.452 3.632 10 0 CHAEMO CC[C@H](NCC(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000021506108 171308059 /nfs/dbraw/zinc/30/80/59/171308059.db2.gz AFDBMTGZJBFOJN-HNNXBMFYSA-N 1 1 282.859 3.969 10 0 CHAEMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(Cl)c1 ZINC000021506108 171308060 /nfs/dbraw/zinc/30/80/60/171308060.db2.gz AFDBMTGZJBFOJN-HNNXBMFYSA-N 1 1 282.859 3.969 10 0 CHAEMO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000021517885 171313970 /nfs/dbraw/zinc/31/39/70/171313970.db2.gz RWOPBQVSYOELFC-RKVPGOIHSA-N 1 1 288.479 3.962 10 0 CHAEMO NC[C@H](c1cccc(Cl)c1)[NH+]1CCCCCCC1 ZINC000021518600 171314372 /nfs/dbraw/zinc/31/43/72/171314372.db2.gz ZPWWJMYOGDWPSR-OAHLLOKOSA-N 1 1 266.816 3.606 10 0 CHAEMO CC[N@@H+]([C@@H](CN)c1cccc(Cl)c1)C1CCCCC1 ZINC000021819078 171333857 /nfs/dbraw/zinc/33/38/57/171333857.db2.gz UKFBGJBFTXBYPC-INIZCTEOSA-N 1 1 280.843 3.994 10 0 CHAEMO CC(C)C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C(C)C)CN1 ZINC000035565303 172264609 /nfs/dbraw/zinc/26/46/09/172264609.db2.gz NQWRSIHHMWCWNV-ZWKOTPCHSA-N 1 1 274.452 3.531 10 0 CHAEMO CC(C)C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C(C)C)CN1 ZINC000035565303 172264612 /nfs/dbraw/zinc/26/46/12/172264612.db2.gz NQWRSIHHMWCWNV-ZWKOTPCHSA-N 1 1 274.452 3.531 10 0 CHAEMO Brc1cccc(-c2[nH+]cc3ccccn32)c1 ZINC000035576679 172273751 /nfs/dbraw/zinc/27/37/51/172273751.db2.gz DLSOIHWQXZPYSF-UHFFFAOYSA-N 1 1 273.133 3.764 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@H+](C)Cc1cccs1 ZINC000035717225 172371523 /nfs/dbraw/zinc/37/15/23/172371523.db2.gz KNLUIWVRZCWCRN-UKRRQHHQSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)Cc1cccs1 ZINC000035717225 172371525 /nfs/dbraw/zinc/37/15/25/172371525.db2.gz KNLUIWVRZCWCRN-UKRRQHHQSA-N 1 1 268.470 3.724 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000035738859 172392704 /nfs/dbraw/zinc/39/27/04/172392704.db2.gz NYCZWGNTBCYXDK-NXEZZACHSA-N 1 1 251.276 3.970 10 0 CHAEMO C[N@H+](Cc1cccc(F)c1)Cc1cc(N)ccc1Cl ZINC000037403085 173179650 /nfs/dbraw/zinc/17/96/50/173179650.db2.gz ZFLRIIFSUXGGMX-UHFFFAOYSA-N 1 1 278.758 3.693 10 0 CHAEMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(N)ccc1Cl ZINC000037403085 173179652 /nfs/dbraw/zinc/17/96/52/173179652.db2.gz ZFLRIIFSUXGGMX-UHFFFAOYSA-N 1 1 278.758 3.693 10 0 CHAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424968 173199023 /nfs/dbraw/zinc/19/90/23/173199023.db2.gz ZSCSCCMPOODNAE-HZMBPMFUSA-N 1 1 289.250 3.970 10 0 CHAEMO CC(C)[C@H](C)N(C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424968 173199025 /nfs/dbraw/zinc/19/90/25/173199025.db2.gz ZSCSCCMPOODNAE-HZMBPMFUSA-N 1 1 289.250 3.970 10 0 CHAEMO CCSc1ccccc1N[C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037779393 173710398 /nfs/dbraw/zinc/71/03/98/173710398.db2.gz RLWYZFNCNVKXER-ZIAGYGMSSA-N 1 1 278.465 3.941 10 0 CHAEMO CC[NH2+][C@H](CC(F)(F)F)c1c(F)cc(OC)cc1F ZINC000037903659 173835399 /nfs/dbraw/zinc/83/53/99/173835399.db2.gz WVIJYOKGXFZEMB-SNVBAGLBSA-N 1 1 283.240 3.576 10 0 CHAEMO Nc1cccc2c1CC[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000038032685 174028729 /nfs/dbraw/zinc/02/87/29/174028729.db2.gz DHRJWKQJXXCEMQ-LJQANCHMSA-N 1 1 278.399 3.705 10 0 CHAEMO CC[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041823 174042860 /nfs/dbraw/zinc/04/28/60/174042860.db2.gz OTNYTRFWHQOIDR-MAUKXSAKSA-N 1 1 292.442 3.988 10 0 CHAEMO CC[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041683 174043403 /nfs/dbraw/zinc/04/34/03/174043403.db2.gz PZCLTCQBNDFLJN-MAUKXSAKSA-N 1 1 290.451 3.555 10 0 CHAEMO CC[C@@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041821 174043624 /nfs/dbraw/zinc/04/36/24/174043624.db2.gz OTNYTRFWHQOIDR-CRAIPNDOSA-N 1 1 292.442 3.988 10 0 CHAEMO CCOC(=O)[C@]1([NH2+][C@H](C)CC)C[C@H](C)CC(C)(C)C1 ZINC000038067814 174080105 /nfs/dbraw/zinc/08/01/05/174080105.db2.gz POGWFPWQSSQOIV-IOASZLSFSA-N 1 1 269.429 3.523 10 0 CHAEMO Nc1c(NC2CCCCC2)nc[nH+]c1NC1CCCCC1 ZINC000040708396 174380156 /nfs/dbraw/zinc/38/01/56/174380156.db2.gz YZBXHVHSSUDFAQ-UHFFFAOYSA-N 1 1 289.427 3.548 10 0 CHAEMO CC[C@H](N)[C@@H](c1ccccc1C)[N@@H+](C)[C@@H](C)C(C)C ZINC000043035065 174950355 /nfs/dbraw/zinc/95/03/55/174950355.db2.gz ZSOBVUBNVZMFKQ-BHYGNILZSA-N 1 1 262.441 3.750 10 0 CHAEMO C[N@H+]1C[C@@H]2CCC[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072142461 176323572 /nfs/dbraw/zinc/32/35/72/176323572.db2.gz RCJIOMDJRBCHJE-SMDDNHRTSA-N 1 1 270.203 3.977 10 0 CHAEMO Cc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000072385355 176389687 /nfs/dbraw/zinc/38/96/87/176389687.db2.gz YKCNLRYURGDBLV-KRWDZBQOSA-N 1 1 285.366 3.651 10 0 CHAEMO Cc1nccc([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000072385355 176389688 /nfs/dbraw/zinc/38/96/88/176389688.db2.gz YKCNLRYURGDBLV-KRWDZBQOSA-N 1 1 285.366 3.651 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000092195743 260268067 /nfs/dbraw/zinc/26/80/67/260268067.db2.gz RQNRBADSLSLEQT-NXEZZACHSA-N 1 1 280.293 3.911 10 0 CHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000106215477 261323594 /nfs/dbraw/zinc/32/35/94/261323594.db2.gz NTYQCMYQTWFPOH-KRWDZBQOSA-N 1 1 283.419 3.591 10 0 CHAEMO CCc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)o1 ZINC000163874157 261332930 /nfs/dbraw/zinc/33/29/30/261332930.db2.gz OIVMDLMGKIAXEU-WMLDXEAASA-N 1 1 286.419 3.796 10 0 CHAEMO Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664132 261340247 /nfs/dbraw/zinc/34/02/47/261340247.db2.gz VUYUOKLOCWPNQN-SJLPKXTDSA-N 1 1 295.430 3.855 10 0 CHAEMO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624441 261355895 /nfs/dbraw/zinc/35/58/95/261355895.db2.gz HKUPWYPCJMLEBS-KBPBESRZSA-N 1 1 290.798 3.507 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ncc[nH]1 ZINC000139033094 262720871 /nfs/dbraw/zinc/72/08/71/262720871.db2.gz SNARDEKLVPFGRF-STQMWFEESA-N 1 1 265.360 3.975 10 0 CHAEMO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000289746874 263111913 /nfs/dbraw/zinc/11/19/13/263111913.db2.gz FEOZLKUSMHWQLV-ZDUSSCGKSA-N 1 1 271.408 3.866 10 0 CHAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956680 264337964 /nfs/dbraw/zinc/33/79/64/264337964.db2.gz ZMNVTASBGXTFSF-IAGOWNOFSA-N 1 1 288.435 3.560 10 0 CHAEMO Clc1cccc(C[NH+]2CCC(c3nccs3)CC2)n1 ZINC000363286643 267084719 /nfs/dbraw/zinc/08/47/19/267084719.db2.gz NZAZYDYUAZQKNU-UHFFFAOYSA-N 1 1 293.823 3.571 10 0 CHAEMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116295661 267137197 /nfs/dbraw/zinc/13/71/97/267137197.db2.gz ZARHTGFVGBJPIB-INIZCTEOSA-N 1 1 298.386 3.672 10 0 CHAEMO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116295661 267137199 /nfs/dbraw/zinc/13/71/99/267137199.db2.gz ZARHTGFVGBJPIB-INIZCTEOSA-N 1 1 298.386 3.672 10 0 CHAEMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)cc1F ZINC000116294467 267137604 /nfs/dbraw/zinc/13/76/04/267137604.db2.gz POQNWFNGHPRPTA-CQSZACIVSA-N 1 1 275.323 3.764 10 0 CHAEMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1F ZINC000116294467 267137607 /nfs/dbraw/zinc/13/76/07/267137607.db2.gz POQNWFNGHPRPTA-CQSZACIVSA-N 1 1 275.323 3.764 10 0 CHAEMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(C)n2)C12CCCC2 ZINC000121167781 267569753 /nfs/dbraw/zinc/56/97/53/267569753.db2.gz QIILVMLNSAMKFF-CABCVRRESA-N 1 1 294.464 3.621 10 0 CHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C)n2)C12CCCC2 ZINC000121167781 267569756 /nfs/dbraw/zinc/56/97/56/267569756.db2.gz QIILVMLNSAMKFF-CABCVRRESA-N 1 1 294.464 3.621 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cncc(Br)c2)o1 ZINC000168677501 267936479 /nfs/dbraw/zinc/93/64/79/267936479.db2.gz MBPWUCRIHXKSFM-JTQLQIEISA-N 1 1 295.180 3.596 10 0 CHAEMO c1coc([C@@H]([NH2+]CCOC2CCCC2)c2ccccc2)c1 ZINC000111635126 328369799 /nfs/dbraw/zinc/36/97/99/328369799.db2.gz DLAVVZCLZNUMHC-SFHVURJKSA-N 1 1 285.387 3.918 10 0 CHAEMO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000049856213 328380375 /nfs/dbraw/zinc/38/03/75/328380375.db2.gz CXKZMWZXURBDKU-BBRMVZONSA-N 1 1 280.843 3.865 10 0 CHAEMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1cccc(Cl)c1 ZINC000049856213 328380376 /nfs/dbraw/zinc/38/03/76/328380376.db2.gz CXKZMWZXURBDKU-BBRMVZONSA-N 1 1 280.843 3.865 10 0 CHAEMO Clc1ncccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000171081310 329074614 /nfs/dbraw/zinc/07/46/14/329074614.db2.gz AYXXHHRDUWKRLR-LBPRGKRZSA-N 1 1 293.823 3.571 10 0 CHAEMO Clc1ncccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000171081310 329074615 /nfs/dbraw/zinc/07/46/15/329074615.db2.gz AYXXHHRDUWKRLR-LBPRGKRZSA-N 1 1 293.823 3.571 10 0 CHAEMO C(CC1CCCC1)[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174248336 329155783 /nfs/dbraw/zinc/15/57/83/329155783.db2.gz CIXGAVGAICYAQC-UHFFFAOYSA-N 1 1 289.423 3.886 10 0 CHAEMO c1cc(C2CC[NH+](Cc3cc4ccccc4o3)CC2)[nH]n1 ZINC000178523720 329197949 /nfs/dbraw/zinc/19/79/49/329197949.db2.gz REVUBYDGQGWGBD-UHFFFAOYSA-N 1 1 281.359 3.536 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000178321407 329198649 /nfs/dbraw/zinc/19/86/49/329198649.db2.gz AHCKFSDBLCWTST-GFCCVEGCSA-N 1 1 295.839 3.571 10 0 CHAEMO CC(C)c1csc([C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000179579108 329209596 /nfs/dbraw/zinc/20/95/96/329209596.db2.gz NPOSIDQXUPRQKQ-GFCCVEGCSA-N 1 1 264.438 3.998 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnn3ccccc23)o1 ZINC000179696181 329211645 /nfs/dbraw/zinc/21/16/45/329211645.db2.gz NNEGVZLJIBANLW-QGZVFWFLSA-N 1 1 295.386 3.963 10 0 CHAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(C(F)F)cc1 ZINC000183954078 329255205 /nfs/dbraw/zinc/25/52/05/329255205.db2.gz OMYZJDCDPZQLGN-OAHLLOKOSA-N 1 1 282.378 3.540 10 0 CHAEMO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184630274 329261549 /nfs/dbraw/zinc/26/15/49/329261549.db2.gz ITGDOZVFVOMIOA-NSHDSACASA-N 1 1 295.641 3.922 10 0 CHAEMO Cn1cccc1[C@@H]1CCC[N@H+]1CCC(Cl)(Cl)Cl ZINC000184630274 329261551 /nfs/dbraw/zinc/26/15/51/329261551.db2.gz ITGDOZVFVOMIOA-NSHDSACASA-N 1 1 295.641 3.922 10 0 CHAEMO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351616 329274516 /nfs/dbraw/zinc/27/45/16/329274516.db2.gz PXKDPDAPANPWIH-VXGBXAGGSA-N 1 1 272.396 3.648 10 0 CHAEMO Cn1cc([C@@H]2CCC[N@H+]2CCCCc2ccccc2)cn1 ZINC000186947039 329350517 /nfs/dbraw/zinc/35/05/17/329350517.db2.gz NQVPEHXAHBXKAM-SFHVURJKSA-N 1 1 283.419 3.580 10 0 CHAEMO Fc1cc(Cl)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000188988865 329374680 /nfs/dbraw/zinc/37/46/80/329374680.db2.gz TUEIRZNLVFTWCC-UHFFFAOYSA-N 1 1 293.773 3.582 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@H+]2CCOCCC(C)C)cs1 ZINC000189803240 329389077 /nfs/dbraw/zinc/38/90/77/329389077.db2.gz YGSRMIMJCOOEMI-HNNXBMFYSA-N 1 1 282.453 3.651 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@@H+]2CCOCCC(C)C)cs1 ZINC000189803240 329389078 /nfs/dbraw/zinc/38/90/78/329389078.db2.gz YGSRMIMJCOOEMI-HNNXBMFYSA-N 1 1 282.453 3.651 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000124799271 329574095 /nfs/dbraw/zinc/57/40/95/329574095.db2.gz QWZXDWJYDVFYLP-SFYZADRCSA-N 1 1 255.774 3.536 10 0 CHAEMO Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2)no1 ZINC000044296227 330327301 /nfs/dbraw/zinc/32/73/01/330327301.db2.gz XUKPGETXSONIOT-CYBMUJFWSA-N 1 1 266.344 3.987 10 0 CHAEMO Cc1cccc([C@@H](C)[NH2+]Cc2nccn2C(C)C)c1 ZINC000452078684 331053350 /nfs/dbraw/zinc/05/33/50/331053350.db2.gz FKGZCJCLUPLNME-CQSZACIVSA-N 1 1 257.381 3.623 10 0 CHAEMO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2cc(Br)ccc12 ZINC000309812881 333049915 /nfs/dbraw/zinc/04/99/15/333049915.db2.gz UPZPEDGDULQAOD-PELKAZGASA-N 1 1 277.165 3.818 10 0 CHAEMO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311288369 333066759 /nfs/dbraw/zinc/06/67/59/333066759.db2.gz PEWURVFCXJCEEA-NXOAAHMSSA-N 1 1 267.457 3.684 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1F)CC2 ZINC000219823662 333157751 /nfs/dbraw/zinc/15/77/51/333157751.db2.gz AEZIEECRMWVNBU-BBRMVZONSA-N 1 1 297.801 3.606 10 0 CHAEMO CCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000187669395 333173661 /nfs/dbraw/zinc/17/36/61/333173661.db2.gz GLPJRBDCAFTOFI-OLZOCXBDSA-N 1 1 252.427 3.820 10 0 CHAEMO Cc1nc(C)c(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000172822659 335123180 /nfs/dbraw/zinc/12/31/80/335123180.db2.gz UKTDJZZUACRXQV-LBPRGKRZSA-N 1 1 262.378 3.690 10 0 CHAEMO COc1ncccc1C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000193357962 333248542 /nfs/dbraw/zinc/24/85/42/333248542.db2.gz CDGWPVMQIYBQDY-OAHLLOKOSA-N 1 1 286.375 3.719 10 0 CHAEMO COc1ncccc1C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000193357962 333248544 /nfs/dbraw/zinc/24/85/44/333248544.db2.gz CDGWPVMQIYBQDY-OAHLLOKOSA-N 1 1 286.375 3.719 10 0 CHAEMO OCC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000227567933 333285986 /nfs/dbraw/zinc/28/59/86/333285986.db2.gz AMHIMVRFFSRKTL-QGZVFWFLSA-N 1 1 281.399 3.558 10 0 CHAEMO FC(F)(F)c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250233670 333303609 /nfs/dbraw/zinc/30/36/09/333303609.db2.gz CDMILAAKULCQLL-KBPBESRZSA-N 1 1 284.325 3.744 10 0 CHAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC000245199137 334184651 /nfs/dbraw/zinc/18/46/51/334184651.db2.gz BMRYWXOSHJQJSC-IAGOWNOFSA-N 1 1 288.435 3.518 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H]1CCCc2ccccc21 ZINC000247147749 334276492 /nfs/dbraw/zinc/27/64/92/334276492.db2.gz UCSOVEJYWLKGAN-MJGOQNOKSA-N 1 1 295.430 3.734 10 0 CHAEMO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246093773 334231285 /nfs/dbraw/zinc/23/12/85/334231285.db2.gz GWRNHEXIQOGCNH-FUHWJXTLSA-N 1 1 295.430 3.967 10 0 CHAEMO C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247646310 334286970 /nfs/dbraw/zinc/28/69/70/334286970.db2.gz UKGJDALPLICUPN-LRDDRELGSA-N 1 1 289.810 3.972 10 0 CHAEMO Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000247990466 334292850 /nfs/dbraw/zinc/29/28/50/334292850.db2.gz JIRLBZUEYUNEGE-JQHSSLGASA-N 1 1 273.420 3.683 10 0 CHAEMO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251109673 334356750 /nfs/dbraw/zinc/35/67/50/334356750.db2.gz TUFFKCDQAILSQG-DUVNUKRYSA-N 1 1 280.843 3.850 10 0 CHAEMO C[C@H](c1ccccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251595456 334365137 /nfs/dbraw/zinc/36/51/37/334365137.db2.gz YJLFCNKGDBWGBH-KGLIPLIRSA-N 1 1 278.827 3.571 10 0 CHAEMO CC(C)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000091335719 334376524 /nfs/dbraw/zinc/37/65/24/334376524.db2.gz PYKXMUYGXVAXJC-WMLDXEAASA-N 1 1 294.870 3.969 10 0 CHAEMO CC(C)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000091335719 334376525 /nfs/dbraw/zinc/37/65/25/334376525.db2.gz PYKXMUYGXVAXJC-WMLDXEAASA-N 1 1 294.870 3.969 10 0 CHAEMO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccccc1Cl ZINC000091335719 334376527 /nfs/dbraw/zinc/37/65/27/334376527.db2.gz PYKXMUYGXVAXJC-WMLDXEAASA-N 1 1 294.870 3.969 10 0 CHAEMO CC[C@H]([NH2+]Cc1nnc(C)n1CC)c1ccc(Cl)cc1 ZINC000154800492 334704921 /nfs/dbraw/zinc/70/49/21/334704921.db2.gz VHRSNVXWSGZOMP-AWEZNQCLSA-N 1 1 292.814 3.501 10 0 CHAEMO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000380599008 336003307 /nfs/dbraw/zinc/00/33/07/336003307.db2.gz ZCRHVFOXBSJHTH-CWQOZTLDSA-N 1 1 279.468 3.828 10 0 CHAEMO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCCCC1 ZINC000054554706 520096171 /nfs/dbraw/zinc/09/61/71/520096171.db2.gz GWPWZBZEZIOOBX-IKGGRYGDSA-N 1 1 266.473 3.665 10 0 CHAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1-c1ccccc1 ZINC000052842406 519104973 /nfs/dbraw/zinc/10/49/73/519104973.db2.gz WYBYVDLOSBSXDK-UHFFFAOYSA-N 1 1 265.360 3.905 10 0 CHAEMO CC(C)C[C@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040779400 519361799 /nfs/dbraw/zinc/36/17/99/519361799.db2.gz NAWFSMHSWVDLDM-GFCCVEGCSA-N 1 1 278.783 3.707 10 0 CHAEMO CC(C)[C@@H]1CCC(=O)[C@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000054558909 519801760 /nfs/dbraw/zinc/80/17/60/519801760.db2.gz WGQIKSKJRUTBNP-CABCVRRESA-N 1 1 265.441 3.892 10 0 CHAEMO CCCCC[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558983 520151837 /nfs/dbraw/zinc/15/18/37/520151837.db2.gz LLQXLWMYEOUIAS-CABCVRRESA-N 1 1 253.430 3.750 10 0 CHAEMO CCCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705179 520182088 /nfs/dbraw/zinc/18/20/88/520182088.db2.gz WUHMETUWVZSXFT-RBUKOAKNSA-N 1 1 288.479 3.718 10 0 CHAEMO CCCCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062705179 520182094 /nfs/dbraw/zinc/18/20/94/520182094.db2.gz WUHMETUWVZSXFT-RBUKOAKNSA-N 1 1 288.479 3.718 10 0 CHAEMO CCCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062625634 520182564 /nfs/dbraw/zinc/18/25/64/520182564.db2.gz DCIVKHLNSDIHNK-JKSUJKDBSA-N 1 1 254.462 3.521 10 0 CHAEMO CCCc1ccc(NCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000052205510 521402994 /nfs/dbraw/zinc/40/29/94/521402994.db2.gz RIIOBCQHFAPSNP-QGZVFWFLSA-N 1 1 260.425 3.925 10 0 CHAEMO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)c1ccccc1 ZINC000049537687 521409070 /nfs/dbraw/zinc/40/90/70/521409070.db2.gz COPJPNBEHYKJRA-ZDUSSCGKSA-N 1 1 273.401 3.841 10 0 CHAEMO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)c1ccccc1 ZINC000049537687 521409085 /nfs/dbraw/zinc/40/90/85/521409085.db2.gz COPJPNBEHYKJRA-ZDUSSCGKSA-N 1 1 273.401 3.841 10 0 CHAEMO CC[N@H+]([C@H](CNC(C)(C)C)C(C)C)C1CCCC1 ZINC000052457545 521477075 /nfs/dbraw/zinc/47/70/75/521477075.db2.gz OAPSMXKQHNRTRO-OAHLLOKOSA-N 1 1 254.462 3.664 10 0 CHAEMO CC[N@@H+]([C@H](CNC(C)(C)C)C(C)C)C1CCCC1 ZINC000052457545 521477081 /nfs/dbraw/zinc/47/70/81/521477081.db2.gz OAPSMXKQHNRTRO-OAHLLOKOSA-N 1 1 254.462 3.664 10 0 CHAEMO CCCc1[nH+]c2cc(N)ccc2n1-c1ccccc1 ZINC000052842400 521542062 /nfs/dbraw/zinc/54/20/62/521542062.db2.gz VMCAXBRJGPVTMQ-UHFFFAOYSA-N 1 1 251.333 3.560 10 0 CHAEMO CCC(CC)N(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052477937 521543339 /nfs/dbraw/zinc/54/33/39/521543339.db2.gz GZRGFFPWAIDVRC-UHFFFAOYSA-N 1 1 283.485 3.509 10 0 CHAEMO CC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)c2ccsc2)C1 ZINC000061361148 521627364 /nfs/dbraw/zinc/62/73/64/521627364.db2.gz RBUJALNTLVDUCD-HZSPNIEDSA-N 1 1 266.454 3.519 10 0 CHAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)c2ccsc2)C1 ZINC000061361148 521627366 /nfs/dbraw/zinc/62/73/66/521627366.db2.gz RBUJALNTLVDUCD-HZSPNIEDSA-N 1 1 266.454 3.519 10 0 CHAEMO Cc1cncc(-c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)c1 ZINC000333474661 534670966 /nfs/dbraw/zinc/67/09/66/534670966.db2.gz RSIIOILJTMMLBP-HNNXBMFYSA-N 1 1 298.390 3.520 10 0 CHAEMO C[N@H+]1CCCC[C@@H]1CCNc1ccc(F)cc1Cl ZINC000052205466 523792969 /nfs/dbraw/zinc/79/29/69/523792969.db2.gz FEAHYCHTDBKDPS-GFCCVEGCSA-N 1 1 270.779 3.765 10 0 CHAEMO C[N@H+]1CCCC[C@H]1CCNc1cccc(Cl)c1 ZINC000052205306 523797732 /nfs/dbraw/zinc/79/77/32/523797732.db2.gz HELXJEVIQXXNGV-AWEZNQCLSA-N 1 1 252.789 3.626 10 0 CHAEMO Cc1cccc(C[N@@H+]2CC(C)(C)NC[C@@H]2CC(C)C)c1 ZINC000062668212 524387800 /nfs/dbraw/zinc/38/78/00/524387800.db2.gz QEWMTHJRJDIIAA-KRWDZBQOSA-N 1 1 274.452 3.594 10 0 CHAEMO Cc1cccc(CN2CC(C)(C)[NH2+]C[C@@H]2CC(C)C)c1 ZINC000062668212 524387806 /nfs/dbraw/zinc/38/78/06/524387806.db2.gz QEWMTHJRJDIIAA-KRWDZBQOSA-N 1 1 274.452 3.594 10 0 CHAEMO Cc1ccc(C[N@H+]2C[C@H](C(C)C)NC[C@@H]2CC(C)C)cc1 ZINC000062705148 524481473 /nfs/dbraw/zinc/48/14/73/524481473.db2.gz KOCRHGBGUDVEGC-RBUKOAKNSA-N 1 1 288.479 3.840 10 0 CHAEMO Cc1ccc(C[N@@H+]2C[C@H](C(C)C)NC[C@@H]2CC(C)C)cc1 ZINC000062705148 524481475 /nfs/dbraw/zinc/48/14/75/524481475.db2.gz KOCRHGBGUDVEGC-RBUKOAKNSA-N 1 1 288.479 3.840 10 0 CHAEMO COc1ccc(NCC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000052205190 524677205 /nfs/dbraw/zinc/67/72/05/524677205.db2.gz KIDHDAWMCABJDI-ZDUSSCGKSA-N 1 1 282.815 3.635 10 0 CHAEMO C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000126563081 524703457 /nfs/dbraw/zinc/70/34/57/524703457.db2.gz ZERXMOYVNBOSDR-NNFUDEMPSA-N 1 1 284.447 3.841 10 0 CHAEMO C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000126563081 524703466 /nfs/dbraw/zinc/70/34/66/524703466.db2.gz ZERXMOYVNBOSDR-NNFUDEMPSA-N 1 1 284.447 3.841 10 0 CHAEMO COc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157806268 525941005 /nfs/dbraw/zinc/94/10/05/525941005.db2.gz DTIBOBZZJIHBIB-AWEZNQCLSA-N 1 1 288.416 3.531 10 0 CHAEMO Cc1cc(Br)ccc1Nc1[nH+]cc(N)cc1C ZINC000052812424 526173127 /nfs/dbraw/zinc/17/31/27/526173127.db2.gz VMCDNZCUZCLPMR-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO C[C@H]1CCCC[N@H+]1CCNc1ccccc1Br ZINC000053343366 526249900 /nfs/dbraw/zinc/24/99/00/526249900.db2.gz WPWSVHUYJGDXSX-LBPRGKRZSA-N 1 1 297.240 3.735 10 0 CHAEMO Fc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157007351 526384292 /nfs/dbraw/zinc/38/42/92/526384292.db2.gz ICQZVIBLNILPJS-ZDUSSCGKSA-N 1 1 276.380 3.662 10 0 CHAEMO c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3C3CCCC3)[nH]2)cc1 ZINC000093215140 567037516 /nfs/dbraw/zinc/03/75/16/567037516.db2.gz ZMXALZJMNNQTMC-HNNXBMFYSA-N 1 1 282.391 3.551 10 0 CHAEMO CCC[N@H+]1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712046074 567836954 /nfs/dbraw/zinc/83/69/54/567836954.db2.gz MYZZFOIOLVRODB-UHFFFAOYSA-N 1 1 251.414 3.646 10 0 CHAEMO Cc1ccc2[nH+]cc(C=O)c(N(CC3CC3)CC3CC3)c2c1 ZINC000090669461 180020439 /nfs/dbraw/zinc/02/04/39/180020439.db2.gz YYMRVEXYLDWCGX-UHFFFAOYSA-N 1 1 294.398 3.982 10 0 CHAEMO CCc1csc([C@@H]2CCC[N@@H+](CCCCCOC)C2)n1 ZINC000171500980 335067647 /nfs/dbraw/zinc/06/76/47/335067647.db2.gz UKTXZVXFYIRRME-CQSZACIVSA-N 1 1 296.480 3.702 10 0 CHAEMO OCCCCCCCCCCC[N@@H+]1CC=CCC1 ZINC000005725624 170133733 /nfs/dbraw/zinc/13/37/33/170133733.db2.gz GMIHNCFUJCCWCH-UHFFFAOYSA-N 1 1 253.430 3.752 10 0 CHAEMO c1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)nc1 ZINC000007224774 170272937 /nfs/dbraw/zinc/27/29/37/170272937.db2.gz NSRNJNJZJDWJRC-UHFFFAOYSA-N 1 1 272.351 3.941 10 0 CHAEMO C[C@@H]1C[C@@H](C)CN(C[C@@H]([NH3+])c2cccc3ccccc32)C1 ZINC000020020047 170971490 /nfs/dbraw/zinc/97/14/90/170971490.db2.gz BPAHEMLYLROHHY-SPYBWZPUSA-N 1 1 282.431 3.818 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)o1 ZINC000020129379 171016800 /nfs/dbraw/zinc/01/68/00/171016800.db2.gz QLXXLFYRPMZDCK-HOCLYGCPSA-N 1 1 272.392 3.542 10 0 CHAEMO CCc1ccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225734 171089452 /nfs/dbraw/zinc/08/94/52/171089452.db2.gz FBERVOWJPTTWFH-GOSISDBHSA-N 1 1 274.452 3.761 10 0 CHAEMO CCc1ccc([C@@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020225734 171089454 /nfs/dbraw/zinc/08/94/54/171089454.db2.gz FBERVOWJPTTWFH-GOSISDBHSA-N 1 1 274.452 3.761 10 0 CHAEMO C[N@@H+](CC1CCCCC1)[C@H](CN)c1ccc(Cl)cc1 ZINC000020226035 171089903 /nfs/dbraw/zinc/08/99/03/171089903.db2.gz UTHCHGCVCOTXQR-MRXNPFEDSA-N 1 1 280.843 3.852 10 0 CHAEMO CN(CC1CCCCC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226035 171089905 /nfs/dbraw/zinc/08/99/05/171089905.db2.gz UTHCHGCVCOTXQR-MRXNPFEDSA-N 1 1 280.843 3.852 10 0 CHAEMO C[N@@H+](CC(C)(C)C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226328 171092137 /nfs/dbraw/zinc/09/21/37/171092137.db2.gz YLJDDENGBFAFFB-INIZCTEOSA-N 1 1 276.468 3.962 10 0 CHAEMO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226328 171092139 /nfs/dbraw/zinc/09/21/39/171092139.db2.gz YLJDDENGBFAFFB-INIZCTEOSA-N 1 1 276.468 3.962 10 0 CHAEMO Cc1cc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438926 171203132 /nfs/dbraw/zinc/20/31/32/171203132.db2.gz HZKCXSHVORZRFB-KDOFPFPSSA-N 1 1 286.419 3.850 10 0 CHAEMO COC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC000020541385 171242000 /nfs/dbraw/zinc/24/20/00/171242000.db2.gz FNOGULLYYUGWJV-MRXNPFEDSA-N 1 1 299.389 3.961 10 0 CHAEMO Cc1cc(C)c([C@@H](N)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000020547300 171244839 /nfs/dbraw/zinc/24/48/39/171244839.db2.gz 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/nfs/dbraw/zinc/32/33/77/171323377.db2.gz TWACVIOHZPVSNY-KHYOSLBOSA-N 1 1 282.431 3.818 10 0 CHAEMO CC[N@@H+](C[C@H](N)c1ccccc1C)C1CCCCC1 ZINC000021809740 171328527 /nfs/dbraw/zinc/32/85/27/171328527.db2.gz HBTBGTRQLRKDHP-KRWDZBQOSA-N 1 1 260.425 3.649 10 0 CHAEMO CC[N@@H+]([C@@H](CN)c1ccc(Cl)cc1)C1CCCCC1 ZINC000022151802 171358909 /nfs/dbraw/zinc/35/89/09/171358909.db2.gz XHNIKJWKUXMRMG-INIZCTEOSA-N 1 1 280.843 3.994 10 0 CHAEMO CCN([C@@H](C[NH3+])c1ccc(Cl)cc1)C1CCCCC1 ZINC000022151802 171358910 /nfs/dbraw/zinc/35/89/10/171358910.db2.gz XHNIKJWKUXMRMG-INIZCTEOSA-N 1 1 280.843 3.994 10 0 CHAEMO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000022221694 171378423 /nfs/dbraw/zinc/37/84/23/171378423.db2.gz OVEUSKGLFQTZBF-CQSZACIVSA-N 1 1 286.341 3.581 10 0 CHAEMO Cc1nc(C[NH2+][C@@H](C)c2cc(C)ccc2C)cs1 ZINC000035010683 171927976 /nfs/dbraw/zinc/92/79/76/171927976.db2.gz HLDWYRFXNLIJLE-LBPRGKRZSA-N 1 1 260.406 3.919 10 0 CHAEMO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000035206602 172050614 /nfs/dbraw/zinc/05/06/14/172050614.db2.gz PSJJPWLLDPPLMW-RBUKOAKNSA-N 1 1 282.431 3.843 10 0 CHAEMO CC[N@@H+](C1CCCCC1)[C@@H]1CCCCCC[C@@H]1N ZINC000035219753 172060327 /nfs/dbraw/zinc/06/03/27/172060327.db2.gz ZTLBWBQASYOHHQ-JKSUJKDBSA-N 1 1 252.446 3.691 10 0 CHAEMO C[N@@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000035219780 172061239 /nfs/dbraw/zinc/06/12/39/172061239.db2.gz VEVGFBHUMWDYFW-CWRNSKLLSA-N 1 1 266.473 3.793 10 0 CHAEMO Cc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)o1 ZINC000035382407 172165032 /nfs/dbraw/zinc/16/50/32/172165032.db2.gz WFGZGWDSNZUDKY-LBPRGKRZSA-N 1 1 256.132 3.943 10 0 CHAEMO CCC[NH2+][C@H](c1ccoc1)c1c(F)cc(F)cc1F ZINC000035580762 172276470 /nfs/dbraw/zinc/27/64/70/172276470.db2.gz PHNPRBSHVHSWPP-CQSZACIVSA-N 1 1 269.266 3.786 10 0 CHAEMO Cc1cc(N)cn2cc(-c3ccc(C)c(C)c3)[nH+]c12 ZINC000036241607 172538823 /nfs/dbraw/zinc/53/88/23/172538823.db2.gz WOZFITMSSWLXQC-UHFFFAOYSA-N 1 1 251.333 3.509 10 0 CHAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(C)c(F)c2)C1 ZINC000037210185 173031591 /nfs/dbraw/zinc/03/15/91/173031591.db2.gz LFFBGBKBYKODEP-ZIAGYGMSSA-N 1 1 264.388 3.666 10 0 CHAEMO C[C@@H](Nc1ccc(F)cc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037222088 173041937 /nfs/dbraw/zinc/04/19/37/173041937.db2.gz OVMRPCYHRDGWKZ-GHMZBOCLSA-N 1 1 270.779 3.621 10 0 CHAEMO CCc1ccc([C@H](N)[C@@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC000037223835 173045026 /nfs/dbraw/zinc/04/50/26/173045026.db2.gz HBSZOGHBUKUVFY-RHSMWYFYSA-N 1 1 262.441 3.615 10 0 CHAEMO Cc1ccc(C(=O)[C@H](C)[N@@H+](C)C2CCCC2)cc1C ZINC000037334800 173135683 /nfs/dbraw/zinc/13/56/83/173135683.db2.gz RPCPKSCCGQUMLK-AWEZNQCLSA-N 1 1 259.393 3.749 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037336301 173136425 /nfs/dbraw/zinc/13/64/25/173136425.db2.gz PHGOXVFJKYBDJZ-NSHDSACASA-N 1 1 269.335 3.514 10 0 CHAEMO CCCc1ccc(C(=O)C[N@H+](CCC)C(C)C)cc1 ZINC000037335211 173136469 /nfs/dbraw/zinc/13/64/69/173136469.db2.gz QUZHBCYKLAWLTH-UHFFFAOYSA-N 1 1 261.409 3.942 10 0 CHAEMO CC[C@@H]([NH2+][C@H](C)c1cc[nH]n1)c1cccc(Cl)c1 ZINC000037907216 173839191 /nfs/dbraw/zinc/83/91/91/173839191.db2.gz XGOIDHLPKDKEBQ-ZWNOBZJWSA-N 1 1 263.772 3.865 10 0 CHAEMO Nc1cccc2c1CC[N@H+]([C@@H]1CCSc3ccccc31)C2 ZINC000038032652 174028560 /nfs/dbraw/zinc/02/85/60/174028560.db2.gz HDTKJCWLKRODQG-QGZVFWFLSA-N 1 1 296.439 3.864 10 0 CHAEMO C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032482 174029081 /nfs/dbraw/zinc/02/90/81/174029081.db2.gz HYLAPAOSPCMHPP-LBPRGKRZSA-N 1 1 270.351 3.527 10 0 CHAEMO Cc1cc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)c(C)o1 ZINC000038032538 174029290 /nfs/dbraw/zinc/02/92/90/174029290.db2.gz VUMLLMBQRORHQW-LBPRGKRZSA-N 1 1 270.376 3.598 10 0 CHAEMO c1ccc(C(c2ccccc2)[NH+]2CC(N3CCCC3)C2)cc1 ZINC000038439663 174141948 /nfs/dbraw/zinc/14/19/48/174141948.db2.gz GVMPKWBOEMVYOE-UHFFFAOYSA-N 1 1 292.426 3.556 10 0 CHAEMO CCCCC[N@@H+](CC(=O)c1cccs1)C(C)C ZINC000042558313 174794708 /nfs/dbraw/zinc/79/47/08/174794708.db2.gz ALSFRWJSEVMUFN-UHFFFAOYSA-N 1 1 253.411 3.831 10 0 CHAEMO Cc1ccc([C@@H]([C@H](C)N)[N@@H+](CC(C)C)C(C)C)cc1 ZINC000042909803 174910150 /nfs/dbraw/zinc/91/01/50/174910150.db2.gz OQWLWRLISBTIHY-DOTOQJQBSA-N 1 1 262.441 3.750 10 0 CHAEMO CCc1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121772 175143068 /nfs/dbraw/zinc/14/30/68/175143068.db2.gz MZZKKHLYXMKTQV-VBQJREDUSA-N 1 1 261.409 3.545 10 0 CHAEMO COc1cc2c(cc1Cl)CC[N@H+](C)[C@H]2c1ccccc1 ZINC000045286523 175354218 /nfs/dbraw/zinc/35/42/18/175354218.db2.gz VPOGKOASTNUXEU-KRWDZBQOSA-N 1 1 287.790 3.926 10 0 CHAEMO COc1cc2c(cc1Cl)CC[N@@H+](C)[C@H]2c1ccccc1 ZINC000045286523 175354219 /nfs/dbraw/zinc/35/42/19/175354219.db2.gz VPOGKOASTNUXEU-KRWDZBQOSA-N 1 1 287.790 3.926 10 0 CHAEMO CCCCc1ccc([C@H](CN)[NH+]2CCCCC2)cc1 ZINC000071587065 176214082 /nfs/dbraw/zinc/21/40/82/176214082.db2.gz NUEUHIWRUWGIMM-KRWDZBQOSA-N 1 1 260.425 3.515 10 0 CHAEMO Cc1n[nH]c2c1[C@H]([NH3+])C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000072415307 176399875 /nfs/dbraw/zinc/39/98/75/176399875.db2.gz VTLNNIHHJQNJLP-LSDHHAIUSA-N 1 1 269.392 3.571 10 0 CHAEMO CCCCN1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000089576244 260188639 /nfs/dbraw/zinc/18/86/39/260188639.db2.gz BWMJWUPLYZATCY-UHFFFAOYSA-N 1 1 266.473 3.667 10 0 CHAEMO Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000129238722 260386388 /nfs/dbraw/zinc/38/63/88/260386388.db2.gz ADOUFKHLZTVPAT-SJLPKXTDSA-N 1 1 295.430 3.855 10 0 CHAEMO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2F)c1C ZINC000051017061 260794468 /nfs/dbraw/zinc/79/44/68/260794468.db2.gz VWQDUHNEBFWEKD-JTQLQIEISA-N 1 1 293.361 3.649 10 0 CHAEMO Cc1cnc(CC[N@H+](C)Cc2ccc3ccccc3n2)s1 ZINC000157344411 261145121 /nfs/dbraw/zinc/14/51/21/261145121.db2.gz JMOPAFPGFKYRJT-UHFFFAOYSA-N 1 1 297.427 3.674 10 0 CHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000106211221 261322587 /nfs/dbraw/zinc/32/25/87/261322587.db2.gz JETSJKQSRMANJQ-SFHVURJKSA-N 1 1 297.446 3.991 10 0 CHAEMO Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664129 261339343 /nfs/dbraw/zinc/33/93/43/261339343.db2.gz VUYUOKLOCWPNQN-AEFFLSMTSA-N 1 1 295.430 3.855 10 0 CHAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(F)F)cc2)cn1 ZINC000183936892 262000102 /nfs/dbraw/zinc/00/01/02/262000102.db2.gz BOEPPFIMVYKCJJ-HNNXBMFYSA-N 1 1 291.345 3.695 10 0 CHAEMO Cc1ccc([C@H](C)NCC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000094955367 265279359 /nfs/dbraw/zinc/27/93/59/265279359.db2.gz JVRMJRNIYQRYIZ-GOEBONIOSA-N 1 1 278.415 3.659 10 0 CHAEMO Cc1ccc([C@H](C)NCC[C@H]2CCCC[N@H+]2C)cc1F ZINC000094955367 265279361 /nfs/dbraw/zinc/27/93/61/265279361.db2.gz JVRMJRNIYQRYIZ-GOEBONIOSA-N 1 1 278.415 3.659 10 0 CHAEMO CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483084 266297414 /nfs/dbraw/zinc/29/74/14/266297414.db2.gz BDXLPMSTSKNNAL-GOSISDBHSA-N 1 1 299.418 3.924 10 0 CHAEMO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116290156 267135984 /nfs/dbraw/zinc/13/59/84/267135984.db2.gz JJAIIVQFEVQRMS-INIZCTEOSA-N 1 1 298.386 3.618 10 0 CHAEMO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116290156 267135987 /nfs/dbraw/zinc/13/59/87/267135987.db2.gz JJAIIVQFEVQRMS-INIZCTEOSA-N 1 1 298.386 3.618 10 0 CHAEMO c1coc([C@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000116292648 267137049 /nfs/dbraw/zinc/13/70/49/267137049.db2.gz MIBLOUXPVAFBFD-QGZVFWFLSA-N 1 1 293.370 3.802 10 0 CHAEMO Fc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)c1F ZINC000116292668 267137978 /nfs/dbraw/zinc/13/79/78/267137978.db2.gz RWGJJLQNORXBOX-ZDUSSCGKSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1F ZINC000116292668 267137981 /nfs/dbraw/zinc/13/79/81/267137981.db2.gz RWGJJLQNORXBOX-ZDUSSCGKSA-N 1 1 263.287 3.895 10 0 CHAEMO CCCCC[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000117876220 267224502 /nfs/dbraw/zinc/22/45/02/267224502.db2.gz SPUNHQUMYCUUOH-CYBMUJFWSA-N 1 1 252.427 3.821 10 0 CHAEMO O=C(CC[N@@H+]1CCC[C@H]1c1nccs1)c1ccccc1 ZINC000368402649 267170322 /nfs/dbraw/zinc/17/03/22/267170322.db2.gz MSTPQRTYWSNFEO-AWEZNQCLSA-N 1 1 286.400 3.553 10 0 CHAEMO O=C(CC[N@H+]1CCC[C@H]1c1nccs1)c1ccccc1 ZINC000368402649 267170326 /nfs/dbraw/zinc/17/03/26/267170326.db2.gz MSTPQRTYWSNFEO-AWEZNQCLSA-N 1 1 286.400 3.553 10 0 CHAEMO Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1Cl ZINC000193851801 329062024 /nfs/dbraw/zinc/06/20/24/329062024.db2.gz SHBGTKSGDKWSIZ-UHFFFAOYSA-N 1 1 289.810 3.751 10 0 CHAEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685448 329177971 /nfs/dbraw/zinc/17/79/71/329177971.db2.gz FTRSWYDIGDQVOX-XJKSGUPXSA-N 1 1 298.434 3.761 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178544006 329198263 /nfs/dbraw/zinc/19/82/63/329198263.db2.gz XPYDLJNCGHJCSA-MRXNPFEDSA-N 1 1 295.386 3.602 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC000180120917 329211775 /nfs/dbraw/zinc/21/17/75/329211775.db2.gz FAMZFDGCKRLFRK-KRWDZBQOSA-N 1 1 275.440 3.626 10 0 CHAEMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)c(C)n1 ZINC000187047679 329352000 /nfs/dbraw/zinc/35/20/00/329352000.db2.gz OZJBFGRGCFFISC-HNNXBMFYSA-N 1 1 256.349 3.629 10 0 CHAEMO CCn1c(C)nnc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190319082 329394691 /nfs/dbraw/zinc/39/46/91/329394691.db2.gz HTMNHMGTJINQFE-UHFFFAOYSA-N 1 1 290.455 3.543 10 0 CHAEMO COc1ccc2oc(C[NH2+][C@H]3COc4ccccc43)cc2c1 ZINC000125026964 329576485 /nfs/dbraw/zinc/57/64/85/329576485.db2.gz BFIIIXUCBMHSGE-INIZCTEOSA-N 1 1 295.338 3.665 10 0 CHAEMO C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)c1cccc2ccccc21 ZINC000396726239 330223813 /nfs/dbraw/zinc/22/38/13/330223813.db2.gz UHZGNTAFIUMKCX-SUNYJGFJSA-N 1 1 268.404 3.631 10 0 CHAEMO C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)c1cccc2ccccc21 ZINC000396726238 330223860 /nfs/dbraw/zinc/22/38/60/330223860.db2.gz UHZGNTAFIUMKCX-PMUMKWKESA-N 1 1 268.404 3.631 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000163948772 331141608 /nfs/dbraw/zinc/14/16/08/331141608.db2.gz WQJUWBWUKRXMEN-CJNGLKHVSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331749 333071130 /nfs/dbraw/zinc/07/11/30/333071130.db2.gz UCSOVEJYWLKGAN-IEBWSBKVSA-N 1 1 295.430 3.734 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000311901565 333074212 /nfs/dbraw/zinc/07/42/12/333074212.db2.gz YFSVWBGZTMFSLP-BRWVUGGUSA-N 1 1 265.441 3.582 10 0 CHAEMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245946161 334225070 /nfs/dbraw/zinc/22/50/70/334225070.db2.gz WSGXRPJCVHNCDK-WFASDCNBSA-N 1 1 298.352 3.546 10 0 CHAEMO Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c2ccccc2n1 ZINC000246465117 334259043 /nfs/dbraw/zinc/25/90/43/334259043.db2.gz ZCRPDMRDFQKDGN-MOPGFXCFSA-N 1 1 296.414 3.687 10 0 CHAEMO C[C@H](c1ccccc1F)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247998125 334293163 /nfs/dbraw/zinc/29/31/63/334293163.db2.gz KBEBOAQRMLWNKB-JKIFEVAISA-N 1 1 277.383 3.514 10 0 CHAEMO CCc1csc([C@H]2CCC[N@H+]([C@H](C)CC)C2)n1 ZINC000248376101 334299335 /nfs/dbraw/zinc/29/93/35/334299335.db2.gz ZIDKAEJQXYTBHG-NEPJUHHUSA-N 1 1 252.427 3.683 10 0 CHAEMO Cc1csc([C@@H]2C[N@@H+](C[C@@H]3CCCC[C@H]3C)CCO2)n1 ZINC000248508767 334304527 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CC(C)[C@H]1CN(CCCc2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000062705147 519826629 /nfs/dbraw/zinc/82/66/29/519826629.db2.gz PYHNPUXPPOMURA-RTBURBONSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000156521773 519856687 /nfs/dbraw/zinc/85/66/87/519856687.db2.gz CBRZDNSWNYQARW-CYBMUJFWSA-N 1 1 264.438 3.856 10 0 CHAEMO CC(C)c1csc([C@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000127741274 519857313 /nfs/dbraw/zinc/85/73/13/519857313.db2.gz MCMPSJYIPFWNMG-LBPRGKRZSA-N 1 1 291.420 3.634 10 0 CHAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000127741274 519857315 /nfs/dbraw/zinc/85/73/15/519857315.db2.gz MCMPSJYIPFWNMG-LBPRGKRZSA-N 1 1 291.420 3.634 10 0 CHAEMO CCCC1CCC([NH2+]CC[C@@H]2CCCCN2C)CC1 ZINC000052206049 519898673 /nfs/dbraw/zinc/89/86/73/519898673.db2.gz BNXUTHAWSUKDEX-JCYILVPMSA-N 1 1 266.473 3.809 10 0 CHAEMO CCCCCC[N@H+]1C[C@H](C)NC[C@@H]1c1ccccc1 ZINC000062657398 520079908 /nfs/dbraw/zinc/07/99/08/520079908.db2.gz QALXEBRFMFPQJU-DOTOQJQBSA-N 1 1 260.425 3.602 10 0 CHAEMO CCCCCCN1C[C@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062657398 520079916 /nfs/dbraw/zinc/07/99/16/520079916.db2.gz QALXEBRFMFPQJU-DOTOQJQBSA-N 1 1 260.425 3.602 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@@H+](C)[C@@H](C)C(C)C)n1 ZINC000061631334 520307769 /nfs/dbraw/zinc/30/77/69/520307769.db2.gz VSLWXINWIWONLE-NSHDSACASA-N 1 1 269.820 3.643 10 0 CHAEMO CC1(C)C[N@H+](Cc2ccccc2)[C@H](c2ccccc2)CN1 ZINC000062671213 520483877 /nfs/dbraw/zinc/48/38/77/520483877.db2.gz XYQFTPQKBPBGCL-SFHVURJKSA-N 1 1 280.415 3.612 10 0 CHAEMO CC1(C)C[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)CN1 ZINC000062671213 520483883 /nfs/dbraw/zinc/48/38/83/520483883.db2.gz XYQFTPQKBPBGCL-SFHVURJKSA-N 1 1 280.415 3.612 10 0 CHAEMO CCCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062668305 520598290 /nfs/dbraw/zinc/59/82/90/520598290.db2.gz LVYWDELALFJLSA-QZTJIDSGSA-N 1 1 274.452 3.848 10 0 CHAEMO CCCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062668305 520598298 /nfs/dbraw/zinc/59/82/98/520598298.db2.gz LVYWDELALFJLSA-QZTJIDSGSA-N 1 1 274.452 3.848 10 0 CHAEMO CCN(CC)c1ncc(C[NH2+][C@@H](C)c2ccc(C)o2)s1 ZINC000037280519 520933111 /nfs/dbraw/zinc/93/31/11/520933111.db2.gz GYLZKGXNGWFVRJ-LBPRGKRZSA-N 1 1 293.436 3.742 10 0 CHAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2cccs2)[nH]1 ZINC000088398780 521301516 /nfs/dbraw/zinc/30/15/16/521301516.db2.gz XTFLMRKZEQYCAJ-UHFFFAOYSA-N 1 1 283.828 3.757 10 0 CHAEMO CCC(CC)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000153909247 521522602 /nfs/dbraw/zinc/52/26/02/521522602.db2.gz ORQCPABSNJBWSF-OAHLLOKOSA-N 1 1 263.429 3.610 10 0 CHAEMO C[NH2+][C@@H](c1ccccc1F)c1ccccc1Br ZINC000052898276 522371556 /nfs/dbraw/zinc/37/15/56/522371556.db2.gz HVQLFAFFUZIIJZ-CQSZACIVSA-N 1 1 294.167 3.897 10 0 CHAEMO C[N@H+]([C@@H](CCN)c1ccccc1)C1CCCCCC1 ZINC000055016167 523622876 /nfs/dbraw/zinc/62/28/76/523622876.db2.gz IYMRQXJOINBTCH-KRWDZBQOSA-N 1 1 260.425 3.731 10 0 CHAEMO C[N@@H+]([C@@H](CCN)c1ccccc1)C1CCCCCC1 ZINC000055016167 523622883 /nfs/dbraw/zinc/62/28/83/523622883.db2.gz IYMRQXJOINBTCH-KRWDZBQOSA-N 1 1 260.425 3.731 10 0 CHAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCCCCO)o1 ZINC000130974976 524035223 /nfs/dbraw/zinc/03/52/23/524035223.db2.gz ORUFCXCIWGKZQG-HNNXBMFYSA-N 1 1 265.397 3.532 10 0 CHAEMO C[C@@H]1CCC[N@@H+]([C@@H](CC(N)=S)c2ccccc2)[C@@H]1C ZINC000055025467 524244395 /nfs/dbraw/zinc/24/43/95/524244395.db2.gz JKLDGKGVKOZQFI-NFAWXSAZSA-N 1 1 276.449 3.524 10 0 CHAEMO Cc1cc(C)c([C@H](O)C[N@H+]2CCCC2(C)C)c(C)c1 ZINC000063072476 524335256 /nfs/dbraw/zinc/33/52/56/524335256.db2.gz HQVSALOCXFDOFB-OAHLLOKOSA-N 1 1 261.409 3.520 10 0 CHAEMO COc1ccc(NCC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000052205188 524678106 /nfs/dbraw/zinc/67/81/06/524678106.db2.gz KIDHDAWMCABJDI-CYBMUJFWSA-N 1 1 282.815 3.635 10 0 CHAEMO Cc1ccccc1C[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062705154 525146398 /nfs/dbraw/zinc/14/63/98/525146398.db2.gz YTSTVFGJGYGYEJ-OALUTQOASA-N 1 1 288.479 3.840 10 0 CHAEMO Cc1ccccc1CN1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062705154 525146406 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Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613772 525681875 /nfs/dbraw/zinc/68/18/75/525681875.db2.gz WIHVFBGDRBENQU-OLZOCXBDSA-N 1 1 298.390 3.659 10 0 CHAEMO C[C@H](Nc1[nH+]cccc1N)c1cccc(Br)c1 ZINC000049564109 525682716 /nfs/dbraw/zinc/68/27/16/525682716.db2.gz DSLAKGUHNVKTLA-VIFPVBQESA-N 1 1 292.180 3.599 10 0 CHAEMO CSc1ccc(NCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000052205225 526042529 /nfs/dbraw/zinc/04/25/29/526042529.db2.gz DQHPRHKOPDJNFP-CQSZACIVSA-N 1 1 264.438 3.695 10 0 CHAEMO C[C@@H](c1ccc(Cl)s1)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626731 526046345 /nfs/dbraw/zinc/04/63/45/526046345.db2.gz RDRZHJXXZGLKFZ-LPEHRKFASA-N 1 1 269.797 3.658 10 0 CHAEMO C[C@@H](c1ccc(Cl)s1)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626731 526046350 /nfs/dbraw/zinc/04/63/50/526046350.db2.gz RDRZHJXXZGLKFZ-LPEHRKFASA-N 1 1 269.797 3.658 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000156981159 526421595 /nfs/dbraw/zinc/42/15/95/526421595.db2.gz YYBCHTMCADBULZ-CQSZACIVSA-N 1 1 290.407 3.970 10 0 CHAEMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](C)O)cc1 ZINC000036101986 566993273 /nfs/dbraw/zinc/99/32/73/566993273.db2.gz MFMDMCXGPNTPGW-OAHLLOKOSA-N 1 1 287.378 3.517 10 0 CHAEMO CCC[C@@H](O)C[N@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099309 566994903 /nfs/dbraw/zinc/99/49/03/566994903.db2.gz GQEJMZJKWXHACD-CQSZACIVSA-N 1 1 279.405 3.504 10 0 CHAEMO CC[C@@H](CO)[N@@H+](C/C(C)=C/c1ccco1)Cc1ccco1 ZINC000055212074 570241509 /nfs/dbraw/zinc/24/15/09/570241509.db2.gz WEELIWZIYYAHGL-IPJDOKCGSA-N 1 1 289.375 3.549 10 0 CHAEMO C/C(=C\c1ccco1)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000014991213 570317639 /nfs/dbraw/zinc/31/76/39/570317639.db2.gz IPSXOGCQWCGCBY-IPJDOKCGSA-N 1 1 283.371 3.966 10 0 CHAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000193987129 1125550432 /nfs/dbraw/zinc/55/04/32/1125550432.db2.gz ZUOLUSRNLAYESK-KYJSFNMBSA-N 1 1 287.403 3.566 10 0 CHAEMO COc1ccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189920718 1126935674 /nfs/dbraw/zinc/93/56/74/1126935674.db2.gz DHBFHIKOJSMNLU-INIZCTEOSA-N 1 1 288.416 3.797 10 0 CHAEMO COc1ccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189920718 1126935677 /nfs/dbraw/zinc/93/56/77/1126935677.db2.gz DHBFHIKOJSMNLU-INIZCTEOSA-N 1 1 288.416 3.797 10 0 CHAEMO CC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000095764186 185027547 /nfs/dbraw/zinc/02/75/47/185027547.db2.gz HPIOOTFKTKCKLG-OALUTQOASA-N 1 1 279.383 3.839 10 0 CHAEMO CCC[NH2+]CCN(C1CCCCC1)C1CCCCC1 ZINC000110447833 186296976 /nfs/dbraw/zinc/29/69/76/186296976.db2.gz YNQIQGAMCZMTFZ-UHFFFAOYSA-N 1 1 266.473 3.953 10 0 CHAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc3ccccc23)cn1 ZINC000171413543 335065216 /nfs/dbraw/zinc/06/52/16/335065216.db2.gz YHEYDLWFPXWPSJ-INIZCTEOSA-N 1 1 297.427 3.972 10 0 CHAEMO CC(C)c1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171413136 335065325 /nfs/dbraw/zinc/06/53/25/335065325.db2.gz BBEVUOIMBTWAFC-SFHVURJKSA-N 1 1 283.419 3.881 10 0 CHAEMO CC(C)OCCC[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000171501680 335067524 /nfs/dbraw/zinc/06/75/24/335067524.db2.gz DODBAZJWLVJBPX-QGZVFWFLSA-N 1 1 291.435 3.654 10 0 CHAEMO CC[N@@H+](C[C@@H]1CNc2ccccc2O1)C1CCCCC1 ZINC000020073383 170983613 /nfs/dbraw/zinc/98/36/13/170983613.db2.gz VJEJZIWKEGFUGL-HNNXBMFYSA-N 1 1 274.408 3.514 10 0 CHAEMO c1ccc2sc(C[NH2+][C@H]3CCOc4ccccc43)nc2c1 ZINC000020136340 171024179 /nfs/dbraw/zinc/02/41/79/171024179.db2.gz UVSNGDOMEZAWBG-ZDUSSCGKSA-N 1 1 296.395 3.910 10 0 CHAEMO Cc1ccc2oc([C@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389382 171178064 /nfs/dbraw/zinc/17/80/64/171178064.db2.gz MPKKTKPMPLXTKG-MRXNPFEDSA-N 1 1 255.292 3.928 10 0 CHAEMO CCCCN(CCCC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000020484731 171224427 /nfs/dbraw/zinc/22/44/27/171224427.db2.gz RNGMUFCXIVQHGC-INIZCTEOSA-N 1 1 266.404 3.728 10 0 CHAEMO CCCC[N@@H+](CC)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000020545039 171243217 /nfs/dbraw/zinc/24/32/17/171243217.db2.gz AJPSNXOKNIWIHN-QGZVFWFLSA-N 1 1 262.441 3.932 10 0 CHAEMO CCCCN(CC)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020545039 171243219 /nfs/dbraw/zinc/24/32/19/171243219.db2.gz AJPSNXOKNIWIHN-QGZVFWFLSA-N 1 1 262.441 3.932 10 0 CHAEMO CCCC[N@@H+](CC)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000020558734 171250978 /nfs/dbraw/zinc/25/09/78/171250978.db2.gz SLSQGROARLYBHV-AWEZNQCLSA-N 1 1 288.357 3.827 10 0 CHAEMO CCCCN(CC)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020558734 171250979 /nfs/dbraw/zinc/25/09/79/171250979.db2.gz SLSQGROARLYBHV-AWEZNQCLSA-N 1 1 288.357 3.827 10 0 CHAEMO Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000020595932 171264275 /nfs/dbraw/zinc/26/42/75/171264275.db2.gz FOYUBSSRYIBSRE-SFHVURJKSA-N 1 1 280.415 3.990 10 0 CHAEMO Fc1ccc(F)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595815 171264643 /nfs/dbraw/zinc/26/46/43/171264643.db2.gz GYPVGTMBDJIEDY-HNNXBMFYSA-N 1 1 288.341 3.651 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1C1(CN)CCC(C(C)(C)C)CC1 ZINC000021504386 171307235 /nfs/dbraw/zinc/30/72/35/171307235.db2.gz MGQRSWMXIBKSOI-HPUBIQBYSA-N 1 1 266.473 3.795 10 0 CHAEMO CCCOc1ccc([C@@H]([NH3+])CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021787177 171322837 /nfs/dbraw/zinc/32/28/37/171322837.db2.gz ZFSQNEFHDACCCD-MPGHIAIKSA-N 1 1 290.451 3.738 10 0 CHAEMO C[C@@H]1CCC[C@@H](C)N1C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021794233 171324504 /nfs/dbraw/zinc/32/45/04/171324504.db2.gz SEWYBRPMUHUFTI-KVFOQLRZSA-N 1 1 290.495 3.793 10 0 CHAEMO Cc1cc([C@H](C)NC[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC000021809142 171328628 /nfs/dbraw/zinc/32/86/28/171328628.db2.gz WAOLXFDUXPAZQC-WFASDCNBSA-N 1 1 268.470 3.602 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1CCc2ccccc2C1 ZINC000021814384 171331654 /nfs/dbraw/zinc/33/16/54/171331654.db2.gz HSSWDHIDKXJORU-YJBOKZPZSA-N 1 1 274.452 3.588 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@H+]1CCc2ccccc2C1 ZINC000021814384 171331656 /nfs/dbraw/zinc/33/16/56/171331656.db2.gz HSSWDHIDKXJORU-YJBOKZPZSA-N 1 1 274.452 3.588 10 0 CHAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](CC)C2CCCCC2)C1 ZINC000035219755 172060555 /nfs/dbraw/zinc/06/05/55/172060555.db2.gz SGVWFLBWJIYHTA-VNQPRFMTSA-N 1 1 252.446 3.547 10 0 CHAEMO Cc1ccc([C@@H](N)[C@@H](C)[N@@H+](C)C2CCCCC2)cc1 ZINC000035219790 172061128 /nfs/dbraw/zinc/06/11/28/172061128.db2.gz YRDUJMNPDKYJRC-PBHICJAKSA-N 1 1 260.425 3.648 10 0 CHAEMO Cc1ccc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)o1 ZINC000035382363 172165623 /nfs/dbraw/zinc/16/56/23/172165623.db2.gz LKPOHMDNSWROPF-GFCCVEGCSA-N 1 1 256.132 3.943 10 0 CHAEMO C[NH2+][C@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035501800 172236804 /nfs/dbraw/zinc/23/68/04/172236804.db2.gz RTFZCVJAFFUKBE-LBPRGKRZSA-N 1 1 256.132 3.895 10 0 CHAEMO C[N@H+](Cc1cccs1)Cc1cc(N)ccc1Cl ZINC000035716593 172370282 /nfs/dbraw/zinc/37/02/82/172370282.db2.gz SVJVNVJVRYIVGS-UHFFFAOYSA-N 1 1 266.797 3.616 10 0 CHAEMO C[N@@H+](Cc1cccs1)Cc1cc(N)ccc1Cl ZINC000035716593 172370283 /nfs/dbraw/zinc/37/02/83/172370283.db2.gz SVJVNVJVRYIVGS-UHFFFAOYSA-N 1 1 266.797 3.616 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@@](CN)([N@H+](C)Cc2cccs2)C1 ZINC000035717212 172370831 /nfs/dbraw/zinc/37/08/31/172370831.db2.gz WGICFRHCUJGLFN-CJNGLKHVSA-N 1 1 280.481 3.724 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)Cc2cccs2)C1 ZINC000035717212 172370834 /nfs/dbraw/zinc/37/08/34/172370834.db2.gz WGICFRHCUJGLFN-CJNGLKHVSA-N 1 1 280.481 3.724 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000035738856 172392346 /nfs/dbraw/zinc/39/23/46/172392346.db2.gz NYCZWGNTBCYXDK-UWVGGRQHSA-N 1 1 251.276 3.970 10 0 CHAEMO CSCC[C@H]([NH3+])c1nc2cc(C(C)(C)C)ccc2o1 ZINC000036749735 172676976 /nfs/dbraw/zinc/67/69/76/172676976.db2.gz JTAWYMMQUPWIKU-NSHDSACASA-N 1 1 278.421 3.878 10 0 CHAEMO CSc1cccc(N[C@H](C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000037208865 173030381 /nfs/dbraw/zinc/03/03/81/173030381.db2.gz QGPRYYDMJYIFLO-OLZOCXBDSA-N 1 1 264.438 3.551 10 0 CHAEMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)N(C)C ZINC000037233290 173052637 /nfs/dbraw/zinc/05/26/37/173052637.db2.gz DDQZQKWTEOVYAU-NHYWBVRUSA-N 1 1 286.822 3.716 10 0 CHAEMO Cc1n[nH]c(C)c1N[C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000037261711 173071594 /nfs/dbraw/zinc/07/15/94/173071594.db2.gz QYLWHWOGRMQVOW-LLVKDONJSA-N 1 1 258.369 3.520 10 0 CHAEMO Cc1ccc(C)c(C(=O)[C@H](C)[N@@H+](C)C2CCCC2)c1 ZINC000037334792 173135819 /nfs/dbraw/zinc/13/58/19/173135819.db2.gz IVDUDMPRBOBHMK-AWEZNQCLSA-N 1 1 259.393 3.749 10 0 CHAEMO CCC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037339354 173140539 /nfs/dbraw/zinc/14/05/39/173140539.db2.gz XUNGJDZTPIDLGM-QWRGUYRKSA-N 1 1 269.335 3.656 10 0 CHAEMO CC[NH2+][C@@H](CC(F)(F)F)c1c(F)cc(OC)cc1F ZINC000037903658 173834791 /nfs/dbraw/zinc/83/47/91/173834791.db2.gz WVIJYOKGXFZEMB-JTQLQIEISA-N 1 1 283.240 3.576 10 0 CHAEMO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032452 174029246 /nfs/dbraw/zinc/02/92/46/174029246.db2.gz NIWBAVMAVFOULD-NSHDSACASA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032452 174029247 /nfs/dbraw/zinc/02/92/47/174029247.db2.gz NIWBAVMAVFOULD-NSHDSACASA-N 1 1 288.341 3.666 10 0 CHAEMO CC[C@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041682 174043220 /nfs/dbraw/zinc/04/32/20/174043220.db2.gz PZCLTCQBNDFLJN-YJBOKZPZSA-N 1 1 290.451 3.555 10 0 CHAEMO CC[C@@H](C)[NH2+]C1(C(=O)OC)CCC(C(C)(C)C)CC1 ZINC000038067022 174078390 /nfs/dbraw/zinc/07/83/90/174078390.db2.gz MNVNZIZGBCRBAC-VEAWUBTESA-N 1 1 269.429 3.523 10 0 CHAEMO CCOC(=O)[C@@](CC)(C[C@@H](C)CC)[NH2+][C@@H](C)CC ZINC000038067831 174079689 /nfs/dbraw/zinc/07/96/89/174079689.db2.gz AFSNJYULCKGUNB-KCQAQPDRSA-N 1 1 257.418 3.523 10 0 CHAEMO CCOC(=O)[C@@](CC)(C[C@H](C)CC)[NH2+][C@@H](C)CC ZINC000038067830 174080175 /nfs/dbraw/zinc/08/01/75/174080175.db2.gz AFSNJYULCKGUNB-VNHYZAJKSA-N 1 1 257.418 3.523 10 0 CHAEMO Cc1csc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000038091136 174104795 /nfs/dbraw/zinc/10/47/95/174104795.db2.gz QGENJHZTUWZHPO-OAHLLOKOSA-N 1 1 276.380 3.832 10 0 CHAEMO CC(C)Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000042245305 174664481 /nfs/dbraw/zinc/66/44/81/174664481.db2.gz YAPNUWIPZJKKEH-YJBOKZPZSA-N 1 1 275.436 3.793 10 0 CHAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c(N)c1 ZINC000042601490 174817126 /nfs/dbraw/zinc/81/71/26/174817126.db2.gz WTACIMRYIURUMD-ABAIWWIYSA-N 1 1 266.816 3.933 10 0 CHAEMO CCCC[N@@H+](C)C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000044122775 175143229 /nfs/dbraw/zinc/14/32/29/175143229.db2.gz LBZPXBMCGUPTPB-MRXNPFEDSA-N 1 1 263.425 3.749 10 0 CHAEMO Cc1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000044121808 175143339 /nfs/dbraw/zinc/14/33/39/175143339.db2.gz GPMJRLGIOJCSKF-UXLLHSPISA-N 1 1 261.409 3.600 10 0 CHAEMO Cc1n[nH]c2c1[C@@H]([NH3+])C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000072415305 176399413 /nfs/dbraw/zinc/39/94/13/176399413.db2.gz VTLNNIHHJQNJLP-GJZGRUSLSA-N 1 1 269.392 3.571 10 0 CHAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000171652040 335073284 /nfs/dbraw/zinc/07/32/84/335073284.db2.gz NJFMGKZONQSLSR-DLBZAZTESA-N 1 1 295.430 3.885 10 0 CHAEMO C[C@@H]([NH2+]Cc1ccsc1Cl)c1cncc(F)c1 ZINC000312749747 260196355 /nfs/dbraw/zinc/19/63/55/260196355.db2.gz UPMLVOCTQPQPGY-MRVPVSSYSA-N 1 1 270.760 3.786 10 0 CHAEMO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164627953 261355828 /nfs/dbraw/zinc/35/58/28/261355828.db2.gz OLFVYKMATVEVGT-RHSMWYFYSA-N 1 1 298.434 3.662 10 0 CHAEMO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000164628193 261356129 /nfs/dbraw/zinc/35/61/29/261356129.db2.gz OLFVYKMATVEVGT-PBHICJAKSA-N 1 1 298.434 3.662 10 0 CHAEMO COc1ccccc1[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000120420996 262194826 /nfs/dbraw/zinc/19/48/26/262194826.db2.gz ONIOWKCRVIAHAW-YJBOKZPZSA-N 1 1 298.430 3.649 10 0 CHAEMO Cc1ccccc1OCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482380 266296961 /nfs/dbraw/zinc/29/69/61/266296961.db2.gz LPLSYYDGGWNOKN-KRWDZBQOSA-N 1 1 299.418 3.714 10 0 CHAEMO O=C(CC[N@@H+]1CCC[C@@H]1c1nccs1)c1ccccc1 ZINC000368402650 267169683 /nfs/dbraw/zinc/16/96/83/267169683.db2.gz MSTPQRTYWSNFEO-CQSZACIVSA-N 1 1 286.400 3.553 10 0 CHAEMO O=C(CC[N@H+]1CCC[C@@H]1c1nccs1)c1ccccc1 ZINC000368402650 267169687 /nfs/dbraw/zinc/16/96/87/267169687.db2.gz MSTPQRTYWSNFEO-CQSZACIVSA-N 1 1 286.400 3.553 10 0 CHAEMO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000289997593 328257317 /nfs/dbraw/zinc/25/73/17/328257317.db2.gz STUZMZFDZSQZRQ-CYBMUJFWSA-N 1 1 257.381 3.692 10 0 CHAEMO Cc1ccc(CN[C@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000110974737 328322887 /nfs/dbraw/zinc/32/28/87/328322887.db2.gz QAVBFDIUXOELKE-GOSISDBHSA-N 1 1 286.394 3.527 10 0 CHAEMO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c2ccccc2n1 ZINC000172075655 335093699 /nfs/dbraw/zinc/09/36/99/335093699.db2.gz ZCRPDMRDFQKDGN-RBUKOAKNSA-N 1 1 296.414 3.687 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3)C2)c1 ZINC000255839006 327019777 /nfs/dbraw/zinc/01/97/77/327019777.db2.gz ISDCCBNVROYUMQ-VEXQSBSHSA-N 1 1 299.393 3.681 10 0 CHAEMO CCc1csc([C@@H]2CCC[N@@H+](CCCOC(C)C)C2)n1 ZINC000171500972 329076804 /nfs/dbraw/zinc/07/68/04/329076804.db2.gz HRSIPDQRWNEDOC-CQSZACIVSA-N 1 1 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ZINC000184494057 333129391 /nfs/dbraw/zinc/12/93/91/333129391.db2.gz WPZMKKIGAWOUMB-NNTXTVRGSA-N 1 1 264.438 3.987 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)o1 ZINC000193644687 333254601 /nfs/dbraw/zinc/25/46/01/333254601.db2.gz UWJNDUIGBDFVGQ-UONOGXRCSA-N 1 1 286.375 3.574 10 0 CHAEMO Cc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000236000526 333372916 /nfs/dbraw/zinc/37/29/16/333372916.db2.gz KAHOWODVHWFFNT-WBVHZDCISA-N 1 1 293.838 3.775 10 0 CHAEMO FC(F)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000248390114 334299729 /nfs/dbraw/zinc/29/97/29/334299729.db2.gz HLOAKYILMJCMEG-HUUCEWRRSA-N 1 1 281.346 3.768 10 0 CHAEMO CCCC1CC[NH+](CC(=O)c2ccc(C)cc2)CC1 ZINC000050894168 519900824 /nfs/dbraw/zinc/90/08/24/519900824.db2.gz UWEIKCGNAOPFNR-UHFFFAOYSA-N 1 1 259.393 3.690 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2CC)n1 ZINC000061630520 520309175 /nfs/dbraw/zinc/30/91/75/520309175.db2.gz YYKCHCSMPKTNCU-NSHDSACASA-N 1 1 267.804 3.541 10 0 CHAEMO CC(C)C[C@H]1C[N@@H+](CC(C)C)[C@H](Cc2ccccc2)CN1 ZINC000062705189 519415727 /nfs/dbraw/zinc/41/57/27/519415727.db2.gz YPEMHFDLDJVWRE-RBUKOAKNSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[C@H]1CN(CC(C)C)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000062705189 519415733 /nfs/dbraw/zinc/41/57/33/519415733.db2.gz YPEMHFDLDJVWRE-RBUKOAKNSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[NH2+]CCCN(Cc1cccs1)C(C)C ZINC000052544960 519743826 /nfs/dbraw/zinc/74/38/26/519743826.db2.gz ALINNEAGEKDXGK-UHFFFAOYSA-N 1 1 268.470 3.594 10 0 CHAEMO CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443174 519772597 /nfs/dbraw/zinc/77/25/97/519772597.db2.gz NCHSLKDJKXVVQK-LLVKDONJSA-N 1 1 254.805 3.789 10 0 CHAEMO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@H+]1[C@@H](C)c1ccccc1 ZINC000062668253 519804783 /nfs/dbraw/zinc/80/47/83/519804783.db2.gz VDQIOPDCNGLGQG-JQHSSLGASA-N 1 1 274.452 3.702 10 0 CHAEMO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)c1ccccc1 ZINC000062668253 519804784 /nfs/dbraw/zinc/80/47/84/519804784.db2.gz VDQIOPDCNGLGQG-JQHSSLGASA-N 1 1 274.452 3.702 10 0 CHAEMO CC(C)[C@H](C)[N@@H+](C)CCNc1ccccc1Br ZINC000053384559 519811804 /nfs/dbraw/zinc/81/18/04/519811804.db2.gz CKJMEEMAAMGUQQ-LBPRGKRZSA-N 1 1 299.256 3.837 10 0 CHAEMO CCCC1CC[NH+]([C@H](c2ccsc2)[C@H](C)N)CC1 ZINC000050893033 519903102 /nfs/dbraw/zinc/90/31/02/519903102.db2.gz JFVQVPDFYQRLSO-WFASDCNBSA-N 1 1 266.454 3.649 10 0 CHAEMO CCCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062625635 520183036 /nfs/dbraw/zinc/18/30/36/520183036.db2.gz DCIVKHLNSDIHNK-HOTGVXAUSA-N 1 1 254.462 3.521 10 0 CHAEMO CC1(C)CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000102950576 520337166 /nfs/dbraw/zinc/33/71/66/520337166.db2.gz BFOXQZLZWFPYSM-UHFFFAOYSA-N 1 1 262.378 3.778 10 0 CHAEMO CCNc1nc2ccccc2cc1C[N@@H+](C)C(C)C ZINC000050792612 520359843 /nfs/dbraw/zinc/35/98/43/520359843.db2.gz PNDIAJJVDRMZFR-UHFFFAOYSA-N 1 1 257.381 3.507 10 0 CHAEMO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1cscn1 ZINC000130157556 520414046 /nfs/dbraw/zinc/41/40/46/520414046.db2.gz MIAFYDNSGCOYIN-HNNXBMFYSA-N 1 1 272.417 3.946 10 0 CHAEMO CC[N@@H+](Cc1nc2sccc2c(Cl)n1)C(C)C ZINC000050839906 521457423 /nfs/dbraw/zinc/45/74/23/521457423.db2.gz KBHMUZLDFDJSAO-UHFFFAOYSA-N 1 1 269.801 3.575 10 0 CHAEMO CC[C@@H](C[NH2+]C(C)(C)C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482228 522543536 /nfs/dbraw/zinc/54/35/36/522543536.db2.gz FYCPXOHQCZPMDW-XHSDSOJGSA-N 1 1 266.473 3.665 10 0 CHAEMO C[C@H]1CCC[C@@H]([N@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673054 524145245 /nfs/dbraw/zinc/14/52/45/524145245.db2.gz SIXKTXZDCOUARB-CGTJXYLNSA-N 1 1 286.463 3.990 10 0 CHAEMO C[C@@H]1CCC[C@H]([N@H+]2C[C@H](C)NC[C@@H]2c2ccccc2)C1 ZINC000062666526 524391228 /nfs/dbraw/zinc/39/12/28/524391228.db2.gz ZQIUMCIYQBIDEC-MXSMSXNCSA-N 1 1 272.436 3.600 10 0 CHAEMO COc1ccc([C@@H](C)Nc2cc[nH+]cc2Cl)cc1OC ZINC000094266988 525164801 /nfs/dbraw/zinc/16/48/01/525164801.db2.gz RROLCCOXPVANGW-SNVBAGLBSA-N 1 1 292.766 3.925 10 0 CHAEMO COc1ccc([C@@H]2C[C@H](C)N(c3cccc(C)[nH+]3)C2)cc1 ZINC000157638216 525265804 /nfs/dbraw/zinc/26/58/04/525265804.db2.gz BSPOGVRYVKOAKY-GOEBONIOSA-N 1 1 282.387 3.781 10 0 CHAEMO Cc1ccccc1NCC[N@H+](C)C1CCC(C)CC1 ZINC000053443303 525269414 /nfs/dbraw/zinc/26/94/14/525269414.db2.gz XITNSWWXMFRZGD-UHFFFAOYSA-N 1 1 260.425 3.917 10 0 CHAEMO C[C@H]([NH2+]Cc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000054788752 525471113 /nfs/dbraw/zinc/47/11/13/525471113.db2.gz YNQBULUWUKJZHW-VIFPVBQESA-N 1 1 282.174 3.634 10 0 CHAEMO COc1ccc2c(C)c([C@@H]([NH3+])c3ccsc3)oc2c1 ZINC000050339722 525496573 /nfs/dbraw/zinc/49/65/73/525496573.db2.gz YGTJHRHUENVLOM-AWEZNQCLSA-N 1 1 273.357 3.859 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1cc[nH]n1)c1ccc(Br)cc1 ZINC000049515653 525604263 /nfs/dbraw/zinc/60/42/63/525604263.db2.gz LPBQCMYHEVEYIQ-ZJUUUORDSA-N 1 1 294.196 3.584 10 0 CHAEMO Cc1c[nH]nc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000289602497 526035957 /nfs/dbraw/zinc/03/59/57/526035957.db2.gz VCAHODKWSMYQOW-MRXNPFEDSA-N 1 1 269.392 3.521 10 0 CHAEMO C[C@@H](c1ccccc1)[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062671253 526092549 /nfs/dbraw/zinc/09/25/49/526092549.db2.gz YQDOJERAAFEZFD-LPHOPBHVSA-N 1 1 280.415 3.784 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000156975107 526421673 /nfs/dbraw/zinc/42/16/73/526421673.db2.gz JKTCMMDDQBFUBI-CQSZACIVSA-N 1 1 290.407 3.970 10 0 CHAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000156975260 526441977 /nfs/dbraw/zinc/44/19/77/526441977.db2.gz JKTCMMDDQBFUBI-AWEZNQCLSA-N 1 1 290.407 3.970 10 0 CHAEMO Cc1[nH+]c2cc(N)ccc2n1-c1cc(Cl)ccc1F ZINC000052852624 527121756 /nfs/dbraw/zinc/12/17/56/527121756.db2.gz XKGBBXBICFHRMZ-UHFFFAOYSA-N 1 1 275.714 3.709 10 0 CHAEMO Brc1ccccc1[C@H]1[NH2+]CCc2sccc21 ZINC000397232895 570289886 /nfs/dbraw/zinc/28/98/86/570289886.db2.gz SGLPHUNJSIOOIX-CYBMUJFWSA-N 1 1 294.217 3.746 10 0 CHAEMO C[C@H]1CCC[N@H+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952312 567209219 /nfs/dbraw/zinc/20/92/19/567209219.db2.gz FJDBTJOYDJZVCO-LSDHHAIUSA-N 1 1 296.455 3.508 10 0 CHAEMO c1csc(C2=CC[N@@H+](C[C@@H]3CCC=CO3)CC2)c1 ZINC000193983696 1125550797 /nfs/dbraw/zinc/55/07/97/1125550797.db2.gz TYWMYTNPWFWSGH-AWEZNQCLSA-N 1 1 261.390 3.530 10 0 CHAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000193987141 1125551222 /nfs/dbraw/zinc/55/12/22/1125551222.db2.gz ZUOLUSRNLAYESK-LESCRADOSA-N 1 1 287.403 3.566 10 0 CHAEMO COc1ccccc1C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189931669 1126937105 /nfs/dbraw/zinc/93/71/05/1126937105.db2.gz YPTHBUGGUYCZIQ-HNNXBMFYSA-N 1 1 288.416 3.797 10 0 CHAEMO COc1ccccc1C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189931669 1126937109 /nfs/dbraw/zinc/93/71/09/1126937109.db2.gz YPTHBUGGUYCZIQ-HNNXBMFYSA-N 1 1 288.416 3.797 10 0 CHAEMO CC1(C)C[N@@H+](C/C=C\Cl)CC[C@@H]1C(F)(F)F ZINC000588588046 1119480257 /nfs/dbraw/zinc/48/02/57/1119480257.db2.gz PQKHRLSIRGGILF-LVCFMKKZSA-N 1 1 255.711 3.649 10 0 CHAEMO CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@@H]2c2nccs2)O1 ZINC000184672076 1123209428 /nfs/dbraw/zinc/20/94/28/1123209428.db2.gz 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CC(C)Oc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020553217 171248842 /nfs/dbraw/zinc/24/88/42/171248842.db2.gz HKIMEISSRDVBIU-RVKKMQEKSA-N 1 1 290.451 3.737 10 0 CHAEMO CC(C)Oc1ccc([C@H]([NH3+])CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020553217 171248843 /nfs/dbraw/zinc/24/88/43/171248843.db2.gz HKIMEISSRDVBIU-RVKKMQEKSA-N 1 1 290.451 3.737 10 0 CHAEMO CC(C)N(CC[NH2+][C@H]1CCCc2ccccc21)C(C)C ZINC000020561752 171252354 /nfs/dbraw/zinc/25/23/54/171252354.db2.gz WRXYGQQPGZBHMD-SFHVURJKSA-N 1 1 274.452 3.772 10 0 CHAEMO Cc1cc([C@H]([NH3+])c2oc3ccccc3c2C)c(C)o1 ZINC000020592889 171262592 /nfs/dbraw/zinc/26/25/92/171262592.db2.gz BZMURURCRSAJMK-HNNXBMFYSA-N 1 1 255.317 3.999 10 0 CHAEMO Fc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020595889 171264343 /nfs/dbraw/zinc/26/43/43/171264343.db2.gz JKPATRPQYZAMTP-HNNXBMFYSA-N 1 1 288.341 3.651 10 0 CHAEMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020595934 171264359 /nfs/dbraw/zinc/26/43/59/171264359.db2.gz CXGJOZDZDDWDDP-SFHVURJKSA-N 1 1 266.388 3.681 10 0 CHAEMO Fc1cc(F)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595918 171264527 /nfs/dbraw/zinc/26/45/27/171264527.db2.gz GJXMBGNPWTXBSO-MRXNPFEDSA-N 1 1 288.341 3.651 10 0 CHAEMO CCCC[N@@H+](CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N ZINC000021012605 171288058 /nfs/dbraw/zinc/28/80/58/171288058.db2.gz XVMZEEYSJHAIJP-OKZBNKHCSA-N 1 1 274.452 3.772 10 0 CHAEMO CCCCN(CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021012605 171288059 /nfs/dbraw/zinc/28/80/59/171288059.db2.gz XVMZEEYSJHAIJP-OKZBNKHCSA-N 1 1 274.452 3.772 10 0 CHAEMO CC[C@@H](NCC(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000021506106 171308264 /nfs/dbraw/zinc/30/82/64/171308264.db2.gz AFDBMTGZJBFOJN-OAHLLOKOSA-N 1 1 282.859 3.969 10 0 CHAEMO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(Cl)c1 ZINC000021506106 171308265 /nfs/dbraw/zinc/30/82/65/171308265.db2.gz AFDBMTGZJBFOJN-OAHLLOKOSA-N 1 1 282.859 3.969 10 0 CHAEMO CCCc1ccc([C@@H](N)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021507827 171308961 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CC[C@@H](C)C[C@@](CC)(CN)[N@@H+]1CCc2ccccc2C1 ZINC000021814383 171331494 /nfs/dbraw/zinc/33/14/94/171331494.db2.gz HSSWDHIDKXJORU-QAPCUYQASA-N 1 1 274.452 3.588 10 0 CHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@H+]1CCc2ccccc2C1 ZINC000021814383 171331495 /nfs/dbraw/zinc/33/14/95/171331495.db2.gz HSSWDHIDKXJORU-QAPCUYQASA-N 1 1 274.452 3.588 10 0 CHAEMO CCOc1ccc([C@@H](N)C[N@@H+](CC)C2CCCCC2)cc1 ZINC000021816718 171332629 /nfs/dbraw/zinc/33/26/29/171332629.db2.gz AWNZLDDHICDMRF-SFHVURJKSA-N 1 1 290.451 3.740 10 0 CHAEMO C[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1ccco1 ZINC000035137107 172003776 /nfs/dbraw/zinc/00/37/76/172003776.db2.gz SPDRYVOWRRIALN-SECBINFHSA-N 1 1 279.723 3.513 10 0 CHAEMO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccco1 ZINC000035142488 172009316 /nfs/dbraw/zinc/00/93/16/172009316.db2.gz PKZSPNTWMVRJLT-VIFPVBQESA-N 1 1 253.704 3.923 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)C2CCCCC2)C1 ZINC000035176642 172029584 /nfs/dbraw/zinc/02/95/84/172029584.db2.gz VGXPGIUBORNBEI-YOEHRIQHSA-N 1 1 266.473 3.795 10 0 CHAEMO CC[NH2+][C@@H](c1occc1C)c1cc(F)ccc1F ZINC000035543408 172251024 /nfs/dbraw/zinc/25/10/24/172251024.db2.gz YMILCBFZQZGLBO-CYBMUJFWSA-N 1 1 251.276 3.565 10 0 CHAEMO C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCCO1 ZINC000035736203 172389263 /nfs/dbraw/zinc/38/92/63/172389263.db2.gz CMUMDHCDYVYCCW-BONVTDFDSA-N 1 1 276.767 3.868 10 0 CHAEMO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2N)cc1 ZINC000036222213 172519646 /nfs/dbraw/zinc/51/96/46/172519646.db2.gz WSNXQGNOXGDMKS-UHFFFAOYSA-N 1 1 257.724 3.545 10 0 CHAEMO CCC[N@@H+](CC)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037094786 172949530 /nfs/dbraw/zinc/94/95/30/172949530.db2.gz SAXWIPSSLDKOMM-UHFFFAOYSA-N 1 1 254.462 3.652 10 0 CHAEMO CSc1cccc(N[C@H](C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000037208863 173030676 /nfs/dbraw/zinc/03/06/76/173030676.db2.gz QGPRYYDMJYIFLO-CHWSQXEVSA-N 1 1 264.438 3.551 10 0 CHAEMO C[C@@H](Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209949 173031995 /nfs/dbraw/zinc/03/19/95/173031995.db2.gz XDSULGJCBDUNAP-VXGBXAGGSA-N 1 1 297.240 3.591 10 0 CHAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(C)c2C)C1 ZINC000037210385 173032576 /nfs/dbraw/zinc/03/25/76/173032576.db2.gz SGZXPHNDCAWXFU-HZPDHXFCSA-N 1 1 260.425 3.836 10 0 CHAEMO CC[C@H](C)[N@@H+](CC)Cc1cc(C(C)=O)ccc1OC ZINC000037315193 173116552 /nfs/dbraw/zinc/11/65/52/173116552.db2.gz AIMMJXKIWGZVGU-LBPRGKRZSA-N 1 1 263.381 3.518 10 0 CHAEMO CCC(CC)[N@@H+](C)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037415203 173191848 /nfs/dbraw/zinc/19/18/48/173191848.db2.gz QIDXOPBGZCKROP-JTQLQIEISA-N 1 1 269.335 3.656 10 0 CHAEMO CCCC1CCC([NH2+][C@@H](C)CC)(C(=O)OCC)CC1 ZINC000038067484 174079468 /nfs/dbraw/zinc/07/94/68/174079468.db2.gz CAIUILQGDPQRSF-HLIUYOAVSA-N 1 1 269.429 3.667 10 0 CHAEMO CC[C@H](N)[C@H](c1cccc(Cl)c1)[N@@H+](C)C1CCCC1 ZINC000042975231 174939026 /nfs/dbraw/zinc/93/90/26/174939026.db2.gz SXDNWJAAMJZFSR-HOTGVXAUSA-N 1 1 280.843 3.993 10 0 CHAEMO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)C1CCCC1 ZINC000042975231 174939028 /nfs/dbraw/zinc/93/90/28/174939028.db2.gz SXDNWJAAMJZFSR-HOTGVXAUSA-N 1 1 280.843 3.993 10 0 CHAEMO CCCOc1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121848 175143337 /nfs/dbraw/zinc/14/33/37/175143337.db2.gz NEEWLURPUDEZLZ-DAYGRLMNSA-N 1 1 291.435 3.772 10 0 CHAEMO CCCc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000044129027 175144954 /nfs/dbraw/zinc/14/49/54/175144954.db2.gz WDRHOLZWYPLRKZ-ZWKOTPCHSA-N 1 1 275.436 3.937 10 0 CHAEMO c1ccc(C[NH2+]Cc2nc3c(s2)CCCCC3)cc1 ZINC000045205949 175327571 /nfs/dbraw/zinc/32/75/71/175327571.db2.gz ZEUOBFCJSWWXTG-UHFFFAOYSA-N 1 1 272.417 3.702 10 0 CHAEMO CC[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)[C@H](C(C)C)CN1 ZINC000071343715 176130938 /nfs/dbraw/zinc/13/09/38/176130938.db2.gz ZJBGSLZSUNNRQN-MSOLQXFVSA-N 1 1 274.452 3.512 10 0 CHAEMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)[C@H](C(C)C)CN1 ZINC000071343715 176130939 /nfs/dbraw/zinc/13/09/39/176130939.db2.gz ZJBGSLZSUNNRQN-MSOLQXFVSA-N 1 1 274.452 3.512 10 0 CHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000114201743 228112984 /nfs/dbraw/zinc/11/29/84/228112984.db2.gz APXBUWWJOBXRSV-QGZVFWFLSA-N 1 1 269.392 3.570 10 0 CHAEMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179621855 260058251 /nfs/dbraw/zinc/05/82/51/260058251.db2.gz IGHJJOQPBACDNG-GBXSZLQWSA-N 1 1 299.336 3.983 10 0 CHAEMO CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccno2)cc1 ZINC000223894118 260399557 /nfs/dbraw/zinc/39/95/57/260399557.db2.gz VEDXGMLMXTWWKH-ZDUSSCGKSA-N 1 1 274.364 3.560 10 0 CHAEMO Cc1cccc([C@H](C)[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000173705704 261168920 /nfs/dbraw/zinc/16/89/20/261168920.db2.gz LDKCKULMBBVUEV-HNNXBMFYSA-N 1 1 297.446 3.971 10 0 CHAEMO Cc1cccc([C@H](C)[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000173705704 261168921 /nfs/dbraw/zinc/16/89/21/261168921.db2.gz LDKCKULMBBVUEV-HNNXBMFYSA-N 1 1 297.446 3.971 10 0 CHAEMO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000164630214 261355920 /nfs/dbraw/zinc/35/59/20/261355920.db2.gz QIPBMRKZEKOQPC-BBRMVZONSA-N 1 1 284.407 3.587 10 0 CHAEMO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164629842 261356263 /nfs/dbraw/zinc/35/62/63/261356263.db2.gz QIPBMRKZEKOQPC-CZUORRHYSA-N 1 1 284.407 3.587 10 0 CHAEMO Cc1ccccc1OCCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482379 266296914 /nfs/dbraw/zinc/29/69/14/266296914.db2.gz LPLSYYDGGWNOKN-QGZVFWFLSA-N 1 1 299.418 3.714 10 0 CHAEMO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856226 328380232 /nfs/dbraw/zinc/38/02/32/328380232.db2.gz LGLQMRLJQQDCEN-CZUORRHYSA-N 1 1 280.843 3.865 10 0 CHAEMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856226 328380234 /nfs/dbraw/zinc/38/02/34/328380234.db2.gz LGLQMRLJQQDCEN-CZUORRHYSA-N 1 1 280.843 3.865 10 0 CHAEMO C(=C/[C@@H]1CCC[N@@H+]1CCCn1ccnc1)\c1cccs1 ZINC000375179871 329001609 /nfs/dbraw/zinc/00/16/09/329001609.db2.gz YQXZBPDMABRMBR-LFAOLKIESA-N 1 1 287.432 3.513 10 0 CHAEMO C=Cn1cc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000193687768 329061025 /nfs/dbraw/zinc/06/10/25/329061025.db2.gz IDCBMODKZCEJMN-LBPRGKRZSA-N 1 1 275.783 3.830 10 0 CHAEMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000172029961 329083381 /nfs/dbraw/zinc/08/33/81/329083381.db2.gz KPTKCZQSTQZYKT-KRWDZBQOSA-N 1 1 293.370 3.868 10 0 CHAEMO Clc1ncc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000175419414 329165726 /nfs/dbraw/zinc/16/57/26/329165726.db2.gz KJLLQIYKKAWCCZ-SECBINFHSA-N 1 1 299.852 3.633 10 0 CHAEMO Clc1ncc(C[N@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000175419414 329165727 /nfs/dbraw/zinc/16/57/27/329165727.db2.gz KJLLQIYKKAWCCZ-SECBINFHSA-N 1 1 299.852 3.633 10 0 CHAEMO Cc1csc([C@H]2CCCN(c3cc[nH+]cc3Cl)C2)n1 ZINC000176886658 329179465 /nfs/dbraw/zinc/17/94/65/329179465.db2.gz OXWFFQDQEXDNBX-NSHDSACASA-N 1 1 293.823 3.884 10 0 CHAEMO Clc1ccccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070272 329855007 /nfs/dbraw/zinc/85/50/07/329855007.db2.gz JUJJRBDRYVCQEU-AWEZNQCLSA-N 1 1 259.736 3.563 10 0 CHAEMO CC[C@H](C)C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000119652562 330378256 /nfs/dbraw/zinc/37/82/56/330378256.db2.gz 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/nfs/dbraw/zinc/19/18/11/333191811.db2.gz BQQRWSOHTOEYJE-LSDHHAIUSA-N 1 1 263.381 3.684 10 0 CHAEMO CC[C@H](C)C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000245881483 334222724 /nfs/dbraw/zinc/22/27/24/334222724.db2.gz UNAYREVXZWTENK-QWHCGFSZSA-N 1 1 296.480 3.860 10 0 CHAEMO CC[C@H](C)C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000245881483 334222725 /nfs/dbraw/zinc/22/27/25/334222725.db2.gz UNAYREVXZWTENK-QWHCGFSZSA-N 1 1 296.480 3.860 10 0 CHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000247249312 334278250 /nfs/dbraw/zinc/27/82/50/334278250.db2.gz XQMCNYUPZDKABI-KSSFIOAISA-N 1 1 297.446 3.978 10 0 CHAEMO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247943395 334291954 /nfs/dbraw/zinc/29/19/54/334291954.db2.gz DFAHRAXQRWETII-IIYDPXPESA-N 1 1 295.373 3.653 10 0 CHAEMO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247955716 334292180 /nfs/dbraw/zinc/29/21/80/334292180.db2.gz FNVHIFXCWJUPDF-IGCXYCKISA-N 1 1 295.373 3.653 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000248072847 334294211 /nfs/dbraw/zinc/29/42/11/334294211.db2.gz MRHFDSNUDLUIML-UHOSZYNNSA-N 1 1 285.431 3.691 10 0 CHAEMO Cc1csc([C@@H]2C[N@@H+](C[C@H]3CCCC[C@@H]3C)CCO2)n1 ZINC000248508766 334304407 /nfs/dbraw/zinc/30/44/07/334304407.db2.gz YIWAOTUUDZWWFI-CFVMTHIKSA-N 1 1 294.464 3.651 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1cc(Cl)cs1)CC2 ZINC000248655548 334311531 /nfs/dbraw/zinc/31/15/31/334311531.db2.gz BSTAPPBOXYAJLZ-FZMZJTMJSA-N 1 1 285.840 3.529 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@H+]2CC[C@H]2CCCO2)o1 ZINC000248933780 334322484 /nfs/dbraw/zinc/32/24/84/334322484.db2.gz BQQRWSOHTOEYJE-HUUCEWRRSA-N 1 1 263.381 3.684 10 0 CHAEMO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000090532443 334362784 /nfs/dbraw/zinc/36/27/84/334362784.db2.gz VEDHCYBLLPYCDX-VBNZEHGJSA-N 1 1 277.456 3.844 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@H+]2CCC[C@H]2CC)n1 ZINC000061630519 520308820 /nfs/dbraw/zinc/30/88/20/520308820.db2.gz YYKCHCSMPKTNCU-LLVKDONJSA-N 1 1 267.804 3.541 10 0 CHAEMO CCC[C@H](c1cccs1)N1CCC([NH2+]CC)CC1 ZINC000049545592 521196351 /nfs/dbraw/zinc/19/63/51/521196351.db2.gz PGYZIZLETPLNBK-CQSZACIVSA-N 1 1 266.454 3.663 10 0 CHAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1[C@@H]1CC1(C)C ZINC000052854026 519105463 /nfs/dbraw/zinc/10/54/63/519105463.db2.gz OACMJWDFGTYARC-CYBMUJFWSA-N 1 1 257.381 3.887 10 0 CHAEMO CC(C)C[C@@H]1CN[C@H](C(C)C)C[N@H+]1CCc1ccccc1 ZINC000062705168 519274490 /nfs/dbraw/zinc/27/44/90/519274490.db2.gz DEGZBUZTPRTAEV-MOPGFXCFSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1CCc1ccccc1 ZINC000062705168 519274499 /nfs/dbraw/zinc/27/44/99/519274499.db2.gz DEGZBUZTPRTAEV-MOPGFXCFSA-N 1 1 288.479 3.574 10 0 CHAEMO CCCCCC[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062625627 520077372 /nfs/dbraw/zinc/07/73/72/520077372.db2.gz FUVYHBJXELWQFN-HNNXBMFYSA-N 1 1 254.462 3.665 10 0 CHAEMO CC[NH2+][C@@H](c1nc(C)cs1)c1cc(F)c(F)c(F)c1 ZINC000062719653 520114895 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ZINC000062671202 524479247 /nfs/dbraw/zinc/47/92/47/524479247.db2.gz KBROUDDZTNHLFW-VQIMIIECSA-N 1 1 280.415 3.530 10 0 CHAEMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2COc3ccccc32)o1 ZINC000070070219 525343735 /nfs/dbraw/zinc/34/37/35/525343735.db2.gz YNCOSWVPXLTNBB-BYCMXARLSA-N 1 1 269.344 3.626 10 0 CHAEMO C[C@@H]([NH2+]Cc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000054765606 525552271 /nfs/dbraw/zinc/55/22/71/525552271.db2.gz NGGIPOHYKFLZGZ-SECBINFHSA-N 1 1 282.174 3.634 10 0 CHAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(N)cccc1Br ZINC000050563133 525639831 /nfs/dbraw/zinc/63/98/31/525639831.db2.gz QTYYSCJITSBQKQ-WDEREUQCSA-N 1 1 297.240 3.652 10 0 CHAEMO Cc1ccc([C@H](C)[N@H+]2Cc3ccc(N)cc3C2)s1 ZINC000049185848 525884672 /nfs/dbraw/zinc/88/46/72/525884672.db2.gz SZQGAQYOYJRRBZ-NSHDSACASA-N 1 1 258.390 3.716 10 0 CHAEMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157016370 526332706 /nfs/dbraw/zinc/33/27/06/526332706.db2.gz AZLVPUVKDIXEGK-CYBMUJFWSA-N 1 1 276.380 3.662 10 0 CHAEMO FC(F)(F)c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127685311 527683839 /nfs/dbraw/zinc/68/38/39/527683839.db2.gz CDMILAAKULCQLL-UONOGXRCSA-N 1 1 284.325 3.744 10 0 CHAEMO FC(F)(F)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127685096 527683948 /nfs/dbraw/zinc/68/39/48/527683948.db2.gz CDMILAAKULCQLL-ZIAGYGMSSA-N 1 1 284.325 3.744 10 0 CHAEMO Clc1ccc(-c2noc3c2C[N@@H+](CC2CC2)CC3)cc1 ZINC000067805991 567900675 /nfs/dbraw/zinc/90/06/75/567900675.db2.gz GGBPHVIHFXKRCD-UHFFFAOYSA-N 1 1 288.778 3.763 10 0 CHAEMO C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000588572863 1119330862 /nfs/dbraw/zinc/33/08/62/1119330862.db2.gz DEPLOBLIVBIMQJ-WTYKIMEZSA-N 1 1 297.402 3.714 10 0 CHAEMO CC(C)(C)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000090770499 180037885 /nfs/dbraw/zinc/03/78/85/180037885.db2.gz ILCXYZOBAAKUCE-ZDUSSCGKSA-N 1 1 253.773 3.512 10 0 CHAEMO C1CNCC[N@H+](C2CCCCCCCCCCC2)C1 ZINC000110418036 186295834 /nfs/dbraw/zinc/29/58/34/186295834.db2.gz COQQWRMIYNIDAU-UHFFFAOYSA-N 1 1 266.473 3.955 10 0 CHAEMO C1C[NH2+]CCN(C2CCCCCCCCCCC2)C1 ZINC000110418036 186295836 /nfs/dbraw/zinc/29/58/36/186295836.db2.gz COQQWRMIYNIDAU-UHFFFAOYSA-N 1 1 266.473 3.955 10 0 CHAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000044123636 256724572 /nfs/dbraw/zinc/72/45/72/256724572.db2.gz SAZGVMQTZKGFSP-YJBOKZPZSA-N 1 1 269.388 3.549 10 0 CHAEMO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccco1 ZINC000007799601 170303534 /nfs/dbraw/zinc/30/35/34/170303534.db2.gz CNNCEZDUXKIYHI-NSHDSACASA-N 1 1 292.766 3.531 10 0 CHAEMO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccncc2)c(C)s1 ZINC000020121845 171001402 /nfs/dbraw/zinc/00/14/02/171001402.db2.gz KGYNSRWARFVZSW-ZJUUUORDSA-N 1 1 261.394 3.567 10 0 CHAEMO [NH3+][C@H](c1cc2ccccc2o1)c1cc(F)ccc1F ZINC000020369055 171167158 /nfs/dbraw/zinc/16/71/58/171167158.db2.gz PFZCJDMESYKWBK-HNNXBMFYSA-N 1 1 259.255 3.759 10 0 CHAEMO CC(C)C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1 ZINC000020555569 171249785 /nfs/dbraw/zinc/24/97/85/171249785.db2.gz WFEMGUUVYKYUQL-QGZVFWFLSA-N 1 1 276.468 3.951 10 0 CHAEMO CCC(C)(C)C1CCC(C[NH3+])(N2CCCCC2)CC1 ZINC000020555636 171249841 /nfs/dbraw/zinc/24/98/41/171249841.db2.gz DBUHMLXDPWMDMO-UHFFFAOYSA-N 1 1 266.473 3.796 10 0 CHAEMO [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1cccnc1 ZINC000020592852 171262440 /nfs/dbraw/zinc/26/24/40/171262440.db2.gz PAVYKETWBJBFJU-AWEZNQCLSA-N 1 1 258.708 3.529 10 0 CHAEMO Fc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595849 171264460 /nfs/dbraw/zinc/26/44/60/171264460.db2.gz CIEOGISLVKTMAL-QGZVFWFLSA-N 1 1 270.351 3.512 10 0 CHAEMO C[C@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000021507098 171308497 /nfs/dbraw/zinc/30/84/97/171308497.db2.gz WLNXLSZAFWAAEF-YOEHRIQHSA-N 1 1 274.452 3.858 10 0 CHAEMO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021507098 171308498 /nfs/dbraw/zinc/30/84/98/171308498.db2.gz WLNXLSZAFWAAEF-YOEHRIQHSA-N 1 1 274.452 3.858 10 0 CHAEMO CCCc1ccc([C@H](N)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021507829 171308659 /nfs/dbraw/zinc/30/86/59/171308659.db2.gz BXJXXXRTMFIEJM-RVKKMQEKSA-N 1 1 274.452 3.617 10 0 CHAEMO CCc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021508645 171309346 /nfs/dbraw/zinc/30/93/46/171309346.db2.gz XNUJDCIOPIEQPF-JKIFEVAISA-N 1 1 260.425 3.512 10 0 CHAEMO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513435 171311299 /nfs/dbraw/zinc/31/12/99/171311299.db2.gz VQXXZKPPMIZYOW-CYGHRXIMSA-N 1 1 274.452 3.689 10 0 CHAEMO CC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518301 171314565 /nfs/dbraw/zinc/31/45/65/171314565.db2.gz KUWAPMXHHBRRHO-WMZOPIPTSA-N 1 1 274.452 3.992 10 0 CHAEMO CC[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518301 171314566 /nfs/dbraw/zinc/31/45/66/171314566.db2.gz KUWAPMXHHBRRHO-WMZOPIPTSA-N 1 1 274.452 3.992 10 0 CHAEMO Cc1ccc(C)c([C@@H](N)C[N@H+](C)C2CCCCC2)c1 ZINC000021520963 171315879 /nfs/dbraw/zinc/31/58/79/171315879.db2.gz WLIKYECTOKUNNY-KRWDZBQOSA-N 1 1 260.425 3.568 10 0 CHAEMO CC[NH+](CC)CCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021788223 171322764 /nfs/dbraw/zinc/32/27/64/171322764.db2.gz NREJDJGTVXURCE-HNNXBMFYSA-N 1 1 276.468 3.977 10 0 CHAEMO CC[NH+](CC)CCN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021788487 171323207 /nfs/dbraw/zinc/32/32/07/171323207.db2.gz PPSCGGSISKZKLW-LLVKDONJSA-N 1 1 289.250 3.986 10 0 CHAEMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021803576 171326860 /nfs/dbraw/zinc/32/68/60/171326860.db2.gz HIMSFAQGEVCELA-LSDHHAIUSA-N 1 1 268.489 3.769 10 0 CHAEMO CC[N@@H+]([C@H](CN)c1cccc(Cl)c1)C1CCCCC1 ZINC000021819080 171333718 /nfs/dbraw/zinc/33/37/18/171333718.db2.gz UKFBGJBFTXBYPC-MRXNPFEDSA-N 1 1 280.843 3.994 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)C1CCCCC1 ZINC000035176673 172028999 /nfs/dbraw/zinc/02/89/99/172028999.db2.gz SLMUWJJFZOUCLE-HOCLYGCPSA-N 1 1 254.462 3.795 10 0 CHAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000035206588 172050563 /nfs/dbraw/zinc/05/05/63/172050563.db2.gz HYVIPJSRHJDKGE-OALUTQOASA-N 1 1 280.415 3.523 10 0 CHAEMO CN(Cc1ccccc1)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000035206588 172050566 /nfs/dbraw/zinc/05/05/66/172050566.db2.gz HYVIPJSRHJDKGE-OALUTQOASA-N 1 1 280.415 3.523 10 0 CHAEMO C[NH2+][C@H](c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000035464433 172212292 /nfs/dbraw/zinc/21/22/92/172212292.db2.gz UDYFIRRYBKEQDH-CQSZACIVSA-N 1 1 267.706 3.927 10 0 CHAEMO CC[NH2+][C@H](c1occc1C)c1cc(F)ccc1F ZINC000035543406 172250700 /nfs/dbraw/zinc/25/07/00/172250700.db2.gz YMILCBFZQZGLBO-ZDUSSCGKSA-N 1 1 251.276 3.565 10 0 CHAEMO C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCCO1 ZINC000035736204 172389488 /nfs/dbraw/zinc/38/94/88/172389488.db2.gz CMUMDHCDYVYCCW-BMIGLBTASA-N 1 1 276.767 3.868 10 0 CHAEMO CC[NH2+][C@H](c1ccco1)c1ccc(OC)cc1Cl ZINC000036768600 172686570 /nfs/dbraw/zinc/68/65/70/172686570.db2.gz OXOBUCIIMPOMFT-AWEZNQCLSA-N 1 1 265.740 3.641 10 0 CHAEMO CC[C@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(C)c(C)c1 ZINC000037180042 173012791 /nfs/dbraw/zinc/01/27/91/173012791.db2.gz VBBBHXLRNBNTOG-IRXDYDNUSA-N 1 1 260.425 3.568 10 0 CHAEMO CC[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180042 173012794 /nfs/dbraw/zinc/01/27/94/173012794.db2.gz VBBBHXLRNBNTOG-IRXDYDNUSA-N 1 1 260.425 3.568 10 0 CHAEMO Cc1ccc2sc([C@@H]([NH3+])c3ccccc3)nc2c1 ZINC000037204456 173026633 /nfs/dbraw/zinc/02/66/33/173026633.db2.gz OMSJIFRSTQJVIK-AWEZNQCLSA-N 1 1 254.358 3.653 10 0 CHAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2cc(C)cc(C)c2)C1 ZINC000037210126 173031938 /nfs/dbraw/zinc/03/19/38/173031938.db2.gz AGFWJWDAZDCSSB-CVEARBPZSA-N 1 1 260.425 3.836 10 0 CHAEMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)N(C)C ZINC000037233292 173052034 /nfs/dbraw/zinc/05/20/34/173052034.db2.gz DDQZQKWTEOVYAU-IAQYHMDHSA-N 1 1 286.822 3.716 10 0 CHAEMO CC[C@H](C)C[N@@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037337223 173138284 /nfs/dbraw/zinc/13/82/84/173138284.db2.gz PEVSKABXTGALGE-LBPRGKRZSA-N 1 1 261.409 3.772 10 0 CHAEMO Cc1ccc(C)c(C(=O)[C@@H](C)[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000037339079 173140722 /nfs/dbraw/zinc/14/07/22/173140722.db2.gz DKPAIKZVSORDKK-LSDHHAIUSA-N 1 1 261.409 3.851 10 0 CHAEMO CCC[N@H+](C)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415070 173191529 /nfs/dbraw/zinc/19/15/29/173191529.db2.gz RXUUWVXEVHMGRT-UHFFFAOYSA-N 1 1 260.164 3.518 10 0 CHAEMO CCC[N@@H+](C)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415070 173191532 /nfs/dbraw/zinc/19/15/32/173191532.db2.gz RXUUWVXEVHMGRT-UHFFFAOYSA-N 1 1 260.164 3.518 10 0 CHAEMO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032655 174028869 /nfs/dbraw/zinc/02/88/69/174028869.db2.gz BAZDSNIXZFHHNJ-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032655 174028871 /nfs/dbraw/zinc/02/88/71/174028871.db2.gz BAZDSNIXZFHHNJ-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000038636487 174150452 /nfs/dbraw/zinc/15/04/52/174150452.db2.gz NUTUJJDVYVBOFD-KRWDZBQOSA-N 1 1 262.441 3.932 10 0 CHAEMO C[C@H]([NH2+]Cc1sccc1Br)c1ccncc1 ZINC000043674937 175088339 /nfs/dbraw/zinc/08/83/39/175088339.db2.gz KAPOWIDIJUYSEF-VIFPVBQESA-N 1 1 297.221 3.756 10 0 CHAEMO CCCc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000044129030 175145071 /nfs/dbraw/zinc/14/50/71/175145071.db2.gz WDRHOLZWYPLRKZ-ROUUACIJSA-N 1 1 275.436 3.937 10 0 CHAEMO CCCCc1ccc([C@@H]([NH3+])CN2CCCCC2)cc1 ZINC000071587059 176214395 /nfs/dbraw/zinc/21/43/95/176214395.db2.gz IDBOBJLRWXCJRH-KRWDZBQOSA-N 1 1 260.425 3.515 10 0 CHAEMO Cc1ccc(C)c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171645997 335073196 /nfs/dbraw/zinc/07/31/96/335073196.db2.gz MCSZQQNTNGTOJK-QGZVFWFLSA-N 1 1 295.430 3.632 10 0 CHAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000171652036 335073395 /nfs/dbraw/zinc/07/33/95/335073395.db2.gz NJFMGKZONQSLSR-IRXDYDNUSA-N 1 1 295.430 3.885 10 0 CHAEMO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000329151478 227329523 /nfs/dbraw/zinc/32/95/23/227329523.db2.gz SIXJWAYOCUUAAW-FPMFFAJLSA-N 1 1 285.391 3.574 10 0 CHAEMO [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000070148759 260152522 /nfs/dbraw/zinc/15/25/22/260152522.db2.gz ODCYCXGCNUMCMO-KRWDZBQOSA-N 1 1 268.404 3.543 10 0 CHAEMO CC1(C)CCC[N@@H+](Cc2cccc3c2NCC3)CC1 ZINC000130571609 260397318 /nfs/dbraw/zinc/39/73/18/260397318.db2.gz WVHYOCROOILHIA-UHFFFAOYSA-N 1 1 258.409 3.667 10 0 CHAEMO Cc1nnc(C[NH2+][C@H](c2ccccc2)C2CCC2)n1C1CC1 ZINC000104702552 261298770 /nfs/dbraw/zinc/29/87/70/261298770.db2.gz CISPVTCABNDHPD-GOSISDBHSA-N 1 1 296.418 3.552 10 0 CHAEMO CC(C)[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000105608976 261312670 /nfs/dbraw/zinc/31/26/70/261312670.db2.gz NXIBLGUTJFWMOX-UHFFFAOYSA-N 1 1 289.379 3.873 10 0 CHAEMO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791862 261358137 /nfs/dbraw/zinc/35/81/37/261358137.db2.gz FBUPHOPAZUKUES-ZJUUUORDSA-N 1 1 296.827 3.569 10 0 CHAEMO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791634 261358578 /nfs/dbraw/zinc/35/85/78/261358578.db2.gz FBUPHOPAZUKUES-NXEZZACHSA-N 1 1 296.827 3.569 10 0 CHAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(C(F)F)cc2)cn1 ZINC000183936912 262000389 /nfs/dbraw/zinc/00/03/89/262000389.db2.gz BOEPPFIMVYKCJJ-OAHLLOKOSA-N 1 1 291.345 3.695 10 0 CHAEMO COc1ccccc1[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000120421341 262194788 /nfs/dbraw/zinc/19/47/88/262194788.db2.gz ONIOWKCRVIAHAW-MAUKXSAKSA-N 1 1 298.430 3.649 10 0 CHAEMO COc1cccc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120423147 262194817 /nfs/dbraw/zinc/19/48/17/262194817.db2.gz BJYIBGHREVFTAS-HNAYVOBHSA-N 1 1 298.430 3.649 10 0 CHAEMO CC(C)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481590 266296769 /nfs/dbraw/zinc/29/67/69/266296769.db2.gz SHISKQRDDSNOGO-OAHLLOKOSA-N 1 1 269.392 3.665 10 0 CHAEMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cc1F ZINC000116298916 267137131 /nfs/dbraw/zinc/13/71/31/267137131.db2.gz DRCOIUKRXKIAPC-AWEZNQCLSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)cc1F ZINC000116298916 267137133 /nfs/dbraw/zinc/13/71/33/267137133.db2.gz DRCOIUKRXKIAPC-AWEZNQCLSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1F ZINC000116292664 267137968 /nfs/dbraw/zinc/13/79/68/267137968.db2.gz RWGJJLQNORXBOX-CYBMUJFWSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1F ZINC000116292664 267137970 /nfs/dbraw/zinc/13/79/70/267137970.db2.gz RWGJJLQNORXBOX-CYBMUJFWSA-N 1 1 263.287 3.895 10 0 CHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000117883787 267223848 /nfs/dbraw/zinc/22/38/48/267223848.db2.gz AHYYBXBLGXSPJQ-INIZCTEOSA-N 1 1 287.432 3.729 10 0 CHAEMO Cc1cccc(N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000040671078 328015370 /nfs/dbraw/zinc/01/53/70/328015370.db2.gz SYHINSUOPOFZBD-LJQANCHMSA-N 1 1 280.415 3.724 10 0 CHAEMO C[N@H+]1Cc2ccc(N[C@@H]3CCc4ccc(F)cc43)cc2C1 ZINC000175000502 329162015 /nfs/dbraw/zinc/16/20/15/329162015.db2.gz FVONIUOWDMPARJ-GOSISDBHSA-N 1 1 282.362 3.871 10 0 CHAEMO C[N@H+]1Cc2ccc(N[C@H]3CCc4ccc(F)cc43)cc2C1 ZINC000175000523 329162037 /nfs/dbraw/zinc/16/20/37/329162037.db2.gz FVONIUOWDMPARJ-SFHVURJKSA-N 1 1 282.362 3.871 10 0 CHAEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685462 329178014 /nfs/dbraw/zinc/17/80/14/329178014.db2.gz FTRSWYDIGDQVOX-CZUORRHYSA-N 1 1 298.434 3.761 10 0 CHAEMO COCc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000179219373 329206189 /nfs/dbraw/zinc/20/61/89/329206189.db2.gz DJOREAQRQQKVAX-MRXNPFEDSA-N 1 1 271.360 3.763 10 0 CHAEMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NCCCCCO)c2C1 ZINC000179262327 329206931 /nfs/dbraw/zinc/20/69/31/329206931.db2.gz NNNJLCBPFWEPCL-OAHLLOKOSA-N 1 1 290.451 3.621 10 0 CHAEMO Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000180160409 329218338 /nfs/dbraw/zinc/21/83/38/329218338.db2.gz WQSUCRLSDUHQEG-INIZCTEOSA-N 1 1 273.355 3.584 10 0 CHAEMO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184630292 329261487 /nfs/dbraw/zinc/26/14/87/329261487.db2.gz ITGDOZVFVOMIOA-LLVKDONJSA-N 1 1 295.641 3.922 10 0 CHAEMO Cn1cccc1[C@H]1CCC[N@H+]1CCC(Cl)(Cl)Cl ZINC000184630292 329261489 /nfs/dbraw/zinc/26/14/89/329261489.db2.gz ITGDOZVFVOMIOA-LLVKDONJSA-N 1 1 295.641 3.922 10 0 CHAEMO OC[C@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1c1ccsc1 ZINC000188097541 329364236 /nfs/dbraw/zinc/36/42/36/329364236.db2.gz UQNAKQHFTGDCJF-SJORKVTESA-N 1 1 293.476 3.726 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@@H+]2CC2(O)CCC(C)CC2)cs1 ZINC000189752635 329387844 /nfs/dbraw/zinc/38/78/44/329387844.db2.gz YTZBFERSEUFMBB-NRAUKZCXSA-N 1 1 294.464 3.530 10 0 CHAEMO CCC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130760277 329627677 /nfs/dbraw/zinc/62/76/77/329627677.db2.gz KLJHZIUYUCDSRY-ZBFHGGJFSA-N 1 1 298.434 3.806 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cccc(Br)c1 ZINC000139000482 329678712 /nfs/dbraw/zinc/67/87/12/329678712.db2.gz XSXFNUXZTLEIRJ-ZJUUUORDSA-N 1 1 294.196 3.584 10 0 CHAEMO Cn1c(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)nnc1C1CC1 ZINC000195099912 329690395 /nfs/dbraw/zinc/69/03/95/329690395.db2.gz KEPGTQATFUUQGE-INIZCTEOSA-N 1 1 298.434 3.570 10 0 CHAEMO c1ccc2c(c1)CCC[C@H]2N1CCC([NH+]2CCCC2)CC1 ZINC000066533227 329849188 /nfs/dbraw/zinc/84/91/88/329849188.db2.gz MSIUQSIQTYAPGP-LJQANCHMSA-N 1 1 284.447 3.624 10 0 CHAEMO C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000379615234 330141679 /nfs/dbraw/zinc/14/16/79/330141679.db2.gz AKTAEYQPGUCCGF-FUHWJXTLSA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000379615234 330141680 /nfs/dbraw/zinc/14/16/80/330141680.db2.gz AKTAEYQPGUCCGF-FUHWJXTLSA-N 1 1 298.430 3.985 10 0 CHAEMO CCCn1ccc(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000091015886 330397927 /nfs/dbraw/zinc/39/79/27/330397927.db2.gz NHFRLVAWGKKNIU-GFCCVEGCSA-N 1 1 263.410 3.514 10 0 CHAEMO Cc1ccc2c(c1)[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)CC2 ZINC000163848083 331134655 /nfs/dbraw/zinc/13/46/55/331134655.db2.gz XNHDAEWMODBXKS-UXHICEINSA-N 1 1 294.442 3.875 10 0 CHAEMO CC[C@H](Nc1cc[nH+]cc1Br)C(C)C ZINC000165048265 331305811 /nfs/dbraw/zinc/30/58/11/331305811.db2.gz WYNDLJZPVYFZTC-JTQLQIEISA-N 1 1 257.175 3.691 10 0 CHAEMO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000311288368 333066626 /nfs/dbraw/zinc/06/66/26/333066626.db2.gz PEWURVFCXJCEEA-MWDXBVQZSA-N 1 1 267.457 3.684 10 0 CHAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1cccc(F)c1F ZINC000224984061 333228291 /nfs/dbraw/zinc/22/82/91/333228291.db2.gz GCEKWJGGOLWWGW-CHWSQXEVSA-N 1 1 284.394 3.592 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C)o1 ZINC000193644714 333254440 /nfs/dbraw/zinc/25/44/40/333254440.db2.gz UWJNDUIGBDFVGQ-ZIAGYGMSSA-N 1 1 286.375 3.574 10 0 CHAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1ncccc1Cl ZINC000528434138 333437102 /nfs/dbraw/zinc/43/71/02/333437102.db2.gz TUPUXKXEGOVOKQ-LBPRGKRZSA-N 1 1 260.768 3.894 10 0 CHAEMO Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000136182075 334149157 /nfs/dbraw/zinc/14/91/57/334149157.db2.gz WTTUUIBCFGSJIY-UHFFFAOYSA-N 1 1 289.810 3.751 10 0 CHAEMO C[C@@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246987454 334273303 /nfs/dbraw/zinc/27/33/03/334273303.db2.gz FVNUEDUDGRJIID-IRXDYDNUSA-N 1 1 295.430 3.619 10 0 CHAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247118907 334275896 /nfs/dbraw/zinc/27/58/96/334275896.db2.gz AIUBQZJUZUBKTQ-MRRJBJDNSA-N 1 1 295.373 3.653 10 0 CHAEMO CC(C)=CC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246750695 334268951 /nfs/dbraw/zinc/26/89/51/334268951.db2.gz QBJWFOQNQUQZLZ-GJZGRUSLSA-N 1 1 299.336 3.779 10 0 CHAEMO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247248696 334278198 /nfs/dbraw/zinc/27/81/98/334278198.db2.gz DTTXEXWXOWXFFX-ZBEGNZNMSA-N 1 1 291.345 3.596 10 0 CHAEMO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247248696 334278200 /nfs/dbraw/zinc/27/82/00/334278200.db2.gz DTTXEXWXOWXFFX-ZBEGNZNMSA-N 1 1 291.345 3.596 10 0 CHAEMO Cc1cccc([C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247990468 334292938 /nfs/dbraw/zinc/29/29/38/334292938.db2.gz JIRLBZUEYUNEGE-RYQLBKOJSA-N 1 1 273.420 3.683 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000248072850 334294325 /nfs/dbraw/zinc/29/43/25/334294325.db2.gz MRHFDSNUDLUIML-WDSOQIARSA-N 1 1 285.431 3.691 10 0 CHAEMO CC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248130021 334295426 /nfs/dbraw/zinc/29/54/26/334295426.db2.gz OICYNJLSJIXJRK-KURKYZTESA-N 1 1 273.420 3.765 10 0 CHAEMO COC[C@@H](C)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000249463509 334334420 /nfs/dbraw/zinc/33/44/20/334334420.db2.gz GCBDUYKDGHIUGT-KBPBESRZSA-N 1 1 296.480 3.728 10 0 CHAEMO CCC[C@H](C)C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000252733970 334388043 /nfs/dbraw/zinc/38/80/43/334388043.db2.gz XQLCAMGLBHVFHJ-GHJWDPDVSA-N 1 1 283.362 3.509 10 0 CHAEMO Cc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1Cl ZINC000194642081 336035151 /nfs/dbraw/zinc/03/51/51/336035151.db2.gz KLJFDCJFTPPJPW-HNNXBMFYSA-N 1 1 289.810 3.510 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC000385264490 336143193 /nfs/dbraw/zinc/14/31/93/336143193.db2.gz YYZTWSDTRLDPPC-KZNAEPCWSA-N 1 1 277.452 3.892 10 0 CHAEMO CCNC[C@@H](C(C)C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345509 519930406 /nfs/dbraw/zinc/93/04/06/519930406.db2.gz KAGMGHLNGXQMJO-GPANFISMSA-N 1 1 254.462 3.521 10 0 CHAEMO CCNC[C@@H](C(C)C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345509 519930410 /nfs/dbraw/zinc/93/04/10/519930410.db2.gz KAGMGHLNGXQMJO-GPANFISMSA-N 1 1 254.462 3.521 10 0 CHAEMO CCCCC[N@@H+](C)Cc1nc(NCC)ccc1Cl ZINC000061631139 520152175 /nfs/dbraw/zinc/15/21/75/520152175.db2.gz CDBMTZZHGUZLRG-UHFFFAOYSA-N 1 1 269.820 3.789 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000061630596 520308520 /nfs/dbraw/zinc/30/85/20/520308520.db2.gz XLJXDIJNHZYRDR-TXEJJXNPSA-N 1 1 281.831 3.645 10 0 CHAEMO CC(C)(C)c1ccc(C[N@@H+]2CC(C)(C)NCC2(C)C)cc1 ZINC000062705129 519027611 /nfs/dbraw/zinc/02/76/11/519027611.db2.gz ZBFIHHRNEMROKY-UHFFFAOYSA-N 1 1 288.479 3.947 10 0 CHAEMO CC(C)(C)c1ccc(C[N@H+]2CC(C)(C)NCC2(C)C)cc1 ZINC000062705129 519027615 /nfs/dbraw/zinc/02/76/15/519027615.db2.gz ZBFIHHRNEMROKY-UHFFFAOYSA-N 1 1 288.479 3.947 10 0 CHAEMO CC(C)[NH2+]CC[C@H](C)N(Cc1cccs1)C(C)C ZINC000052545058 519722069 /nfs/dbraw/zinc/72/20/69/519722069.db2.gz HSLPWRWRSUMHMW-AWEZNQCLSA-N 1 1 268.470 3.735 10 0 CHAEMO CC(C)[C@@H](CN(C)C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000049196611 519793626 /nfs/dbraw/zinc/79/36/26/519793626.db2.gz MLXYFJXTGGFPLR-CQSZACIVSA-N 1 1 289.250 3.669 10 0 CHAEMO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000139043213 519839400 /nfs/dbraw/zinc/83/94/00/519839400.db2.gz UKWSKWZCENOIKS-OLZOCXBDSA-N 1 1 257.381 3.945 10 0 CHAEMO CC(C)c1[nH+]c2cc(N)ccc2n1-c1ccccc1 ZINC000052842402 519869444 /nfs/dbraw/zinc/86/94/44/519869444.db2.gz QTSMPZKPHDMLHJ-UHFFFAOYSA-N 1 1 251.333 3.731 10 0 CHAEMO CCCCCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062664754 520080570 /nfs/dbraw/zinc/08/05/70/520080570.db2.gz UIECTYRNPOLRLD-DLBZAZTESA-N 1 1 268.489 3.911 10 0 CHAEMO CC1(C)C[N@@H+](C2CCCCC2)[C@H](c2ccccc2)CN1 ZINC000062666537 520462293 /nfs/dbraw/zinc/46/22/93/520462293.db2.gz RZKHIBVQPJKSOM-KRWDZBQOSA-N 1 1 272.436 3.744 10 0 CHAEMO CCCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705191 520599477 /nfs/dbraw/zinc/59/94/77/520599477.db2.gz WPCTVBRMUJORIU-OALUTQOASA-N 1 1 288.479 3.718 10 0 CHAEMO CCCCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062705191 520599484 /nfs/dbraw/zinc/59/94/84/520599484.db2.gz WPCTVBRMUJORIU-OALUTQOASA-N 1 1 288.479 3.718 10 0 CHAEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 ZINC000054186857 521625757 /nfs/dbraw/zinc/62/57/57/521625757.db2.gz FHMZHNXPWPXXCK-CYBMUJFWSA-N 1 1 272.314 3.602 10 0 CHAEMO CCC[N@H+](Cc1nc(NCC)ccc1Cl)C1CC1 ZINC000061630980 521694247 /nfs/dbraw/zinc/69/42/47/521694247.db2.gz HTTHYAWNYRYKDO-UHFFFAOYSA-N 1 1 267.804 3.541 10 0 CHAEMO CCC[N@@H+](Cc1nc(NCC)ccc1Cl)C1CC1 ZINC000061630980 521694249 /nfs/dbraw/zinc/69/42/49/521694249.db2.gz HTTHYAWNYRYKDO-UHFFFAOYSA-N 1 1 267.804 3.541 10 0 CHAEMO C[N@@H+](CC(C)(C)C)[C@@H](CN)c1csc2ccccc21 ZINC000054464542 522546255 /nfs/dbraw/zinc/54/62/55/522546255.db2.gz UWYFCUYVLHJUQC-AWEZNQCLSA-N 1 1 276.449 3.879 10 0 CHAEMO CN(CC(C)(C)C)[C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464542 522546266 /nfs/dbraw/zinc/54/62/66/522546266.db2.gz UWYFCUYVLHJUQC-AWEZNQCLSA-N 1 1 276.449 3.879 10 0 CHAEMO C[N@@H+](Cc1ccc(Cl)cc1N)C1CCCCC1 ZINC000050442837 523230612 /nfs/dbraw/zinc/23/06/12/523230612.db2.gz BUYIURHMDZMVKD-UHFFFAOYSA-N 1 1 252.789 3.687 10 0 CHAEMO CCn1nc(C[NH2+][C@@H](C)c2ccc(C)o2)c2ccccc21 ZINC000089174177 523677598 /nfs/dbraw/zinc/67/75/98/523677598.db2.gz MCHZAZGGOZXWEZ-ZDUSSCGKSA-N 1 1 283.375 3.808 10 0 CHAEMO C[C@H]1CCC[C@H]([N@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673052 524203505 /nfs/dbraw/zinc/20/35/05/524203505.db2.gz SIXKTXZDCOUARB-RYQLBKOJSA-N 1 1 286.463 3.990 10 0 CHAEMO C[C@@H]1CCC[N@H+](Cc2c3ccccc3sc2CN)C1 ZINC000052381428 524228971 /nfs/dbraw/zinc/22/89/71/524228971.db2.gz WWVAOMWIRQIRIH-GFCCVEGCSA-N 1 1 274.433 3.592 10 0 CHAEMO C[C@@H]1CCC[N@@H+](Cc2c3ccccc3sc2CN)C1 ZINC000052381428 524228984 /nfs/dbraw/zinc/22/89/84/524228984.db2.gz WWVAOMWIRQIRIH-GFCCVEGCSA-N 1 1 274.433 3.592 10 0 CHAEMO Cc1cccc(C[N@@H+]2C[C@@H](C(C)C)NC[C@@H]2CC(C)C)c1 ZINC000062705158 524407064 /nfs/dbraw/zinc/40/70/64/524407064.db2.gz KAZXCRWKFUCCLL-OALUTQOASA-N 1 1 288.479 3.840 10 0 CHAEMO Cc1cccc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2CC(C)C)c1 ZINC000062705158 524407081 /nfs/dbraw/zinc/40/70/81/524407081.db2.gz KAZXCRWKFUCCLL-OALUTQOASA-N 1 1 288.479 3.840 10 0 CHAEMO C[C@@H](C[NH2+]C(C)(C)C)CN(C)Cc1cccc(Cl)c1 ZINC000052508017 524734060 /nfs/dbraw/zinc/73/40/60/524734060.db2.gz IPCWRKYGJOQYRG-ZDUSSCGKSA-N 1 1 282.859 3.796 10 0 CHAEMO Cc1cc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000044692521 524776555 /nfs/dbraw/zinc/77/65/55/524776555.db2.gz XIZDNIXMQHOKGQ-CQSZACIVSA-N 1 1 288.391 3.869 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C)o1 ZINC000036960060 525934557 /nfs/dbraw/zinc/93/45/57/525934557.db2.gz MXKNQMICFDXBML-STQMWFEESA-N 1 1 283.375 3.887 10 0 CHAEMO Cc1ccc(Br)cc1Nc1[nH+]cc(N)cc1C ZINC000052812892 525987955 /nfs/dbraw/zinc/98/79/55/525987955.db2.gz QPMWVZZRQQIBKD-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO C[C@H](C1CC1)[N@@H+](C)Cc1nc2sccc2c(Cl)n1 ZINC000050839995 526204582 /nfs/dbraw/zinc/20/45/82/526204582.db2.gz FSHHAYSAYLSUSK-MRVPVSSYSA-N 1 1 281.812 3.575 10 0 CHAEMO c1csc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000157015426 526586403 /nfs/dbraw/zinc/58/64/03/526586403.db2.gz YKOVUUYUGVCSBR-CQSZACIVSA-N 1 1 258.390 3.523 10 0 CHAEMO O=C(C[C@@H]1[NH2+]C=Cc2ccccc21)c1cccs1 ZINC000000041807 566945468 /nfs/dbraw/zinc/94/54/68/566945468.db2.gz DBKFVPCUHZQHCM-ZDUSSCGKSA-N 1 1 255.342 3.636 10 0 CHAEMO Cc1nc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)oc1C ZINC000104076563 1118229948 /nfs/dbraw/zinc/22/99/48/1118229948.db2.gz XNTYYQGSRHILJB-UHFFFAOYSA-N 1 1 288.366 3.990 10 0 CHAEMO COc1c(C)cc(C[N@H+](C)Cc2c(C)noc2C)cc1C ZINC000101566456 1119660420 /nfs/dbraw/zinc/66/04/20/1119660420.db2.gz YJWOLNWZHRLJTM-UHFFFAOYSA-N 1 1 288.391 3.549 10 0 CHAEMO COc1c(C)cc(C[N@@H+](C)Cc2c(C)noc2C)cc1C ZINC000101566456 1119660421 /nfs/dbraw/zinc/66/04/21/1119660421.db2.gz YJWOLNWZHRLJTM-UHFFFAOYSA-N 1 1 288.391 3.549 10 0 CHAEMO Clc1cc(C[N@H+]2CCCC23CCCC3)ccn1 ZINC000310454138 1120459109 /nfs/dbraw/zinc/45/91/09/1120459109.db2.gz WIDWHYKJUFAJDG-UHFFFAOYSA-N 1 1 250.773 3.644 10 0 CHAEMO CC(C)CC[N@H+]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000090769156 180037802 /nfs/dbraw/zinc/03/78/02/180037802.db2.gz UXMUTUJWYRULJB-MRXNPFEDSA-N 1 1 283.419 3.767 10 0 CHAEMO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171526551 335069098 /nfs/dbraw/zinc/06/90/98/335069098.db2.gz WSGXRPJCVHNCDK-IUODEOHRSA-N 1 1 298.352 3.546 10 0 CHAEMO c1ccc2c(c1)[nH+]c(-c1cccnc1)cc2N1CCCC1 ZINC000005939887 170159379 /nfs/dbraw/zinc/15/93/79/170159379.db2.gz QIIXIROOWAWACN-UHFFFAOYSA-N 1 1 275.355 3.897 10 0 CHAEMO C[N@@H+]1CC=C(/C=C/c2cccc(Br)c2)CC1 ZINC000005966242 170163744 /nfs/dbraw/zinc/16/37/44/170163744.db2.gz CEBVLYAEGCVTFY-AATRIKPKSA-N 1 1 278.193 3.724 10 0 CHAEMO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129414 171018043 /nfs/dbraw/zinc/01/80/43/171018043.db2.gz PJAKJJLRVNLEOH-RDTXWAMCSA-N 1 1 286.394 3.779 10 0 CHAEMO CSc1ccc([C@@H](C)NC[C@H](C(C)C)[NH+](C)C)cc1 ZINC000020145887 171031673 /nfs/dbraw/zinc/03/16/73/171031673.db2.gz NBCQWWKQMMWASR-CZUORRHYSA-N 1 1 280.481 3.645 10 0 CHAEMO CCOc1cccc([C@H](CN)[N@@H+](C)CC2CCCCC2)c1 ZINC000020226213 171089329 /nfs/dbraw/zinc/08/93/29/171089329.db2.gz MSZYSVGXDDDTSC-SFHVURJKSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1cccc([C@H](C[NH3+])N(C)CC2CCCCC2)c1 ZINC000020226213 171089331 /nfs/dbraw/zinc/08/93/31/171089331.db2.gz MSZYSVGXDDDTSC-SFHVURJKSA-N 1 1 290.451 3.597 10 0 CHAEMO CCCCN(CCCC)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000020484764 171224155 /nfs/dbraw/zinc/22/41/55/171224155.db2.gz UJPHUTBRHZFWFI-QGZVFWFLSA-N 1 1 278.440 3.597 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)Cc1ccccc1 ZINC000020556331 171249880 /nfs/dbraw/zinc/24/98/80/171249880.db2.gz GRJNOFZDHXXMNA-DOTOQJQBSA-N 1 1 262.441 3.662 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)Cc1ccccc1 ZINC000020556331 171249882 /nfs/dbraw/zinc/24/98/82/171249882.db2.gz GRJNOFZDHXXMNA-DOTOQJQBSA-N 1 1 262.441 3.662 10 0 CHAEMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000020595903 171264362 /nfs/dbraw/zinc/26/43/62/171264362.db2.gz PRPDWWTVAKJLKC-KRWDZBQOSA-N 1 1 284.378 3.821 10 0 CHAEMO Clc1nc2ccccc2cc1C[NH2+]Cc1ccncc1 ZINC000020967245 171282317 /nfs/dbraw/zinc/28/23/17/171282317.db2.gz GPTRTDARMMUBQX-UHFFFAOYSA-N 1 1 283.762 3.573 10 0 CHAEMO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513431 171311301 /nfs/dbraw/zinc/31/13/01/171311301.db2.gz VQXXZKPPMIZYOW-CIRFHOKZSA-N 1 1 274.452 3.689 10 0 CHAEMO CCCC[N@@H+](CC)C[C@@H](N)c1ccc(OCCC)cc1 ZINC000021515331 171311821 /nfs/dbraw/zinc/31/18/21/171311821.db2.gz XQEZKVIMWDOPKE-QGZVFWFLSA-N 1 1 278.440 3.597 10 0 CHAEMO CCCCN(CC)C[C@@H]([NH3+])c1ccc(OCCC)cc1 ZINC000021515331 171311823 /nfs/dbraw/zinc/31/18/23/171311823.db2.gz XQEZKVIMWDOPKE-QGZVFWFLSA-N 1 1 278.440 3.597 10 0 CHAEMO Cc1cc(C)c(CNCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000021516746 171312897 /nfs/dbraw/zinc/31/28/97/171312897.db2.gz NWQJFBIFHHWFKD-UHFFFAOYSA-N 1 1 288.479 3.823 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789949 171323179 /nfs/dbraw/zinc/32/31/79/171323179.db2.gz DCKJSZFBAUSGMP-XJISEUOASA-N 1 1 290.495 3.508 10 0 CHAEMO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCc2ccccc21 ZINC000021813440 171330945 /nfs/dbraw/zinc/33/09/45/171330945.db2.gz PLIPIFWONCVPSF-QFBILLFUSA-N 1 1 286.463 3.918 10 0 CHAEMO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCCc2ccccc21 ZINC000021813440 171330947 /nfs/dbraw/zinc/33/09/47/171330947.db2.gz PLIPIFWONCVPSF-QFBILLFUSA-N 1 1 286.463 3.918 10 0 CHAEMO C[C@H]([NH2+]CC(C)(C)CN(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000021817482 171333351 /nfs/dbraw/zinc/33/33/51/171333351.db2.gz MZNLBXYTBJMEMW-ISOUWHGUSA-N 1 1 292.511 3.769 10 0 CHAEMO CCCC[N@@H+](CC)[C@H](CN)c1c(C)cc(C)cc1C ZINC000022150062 171358261 /nfs/dbraw/zinc/35/82/61/171358261.db2.gz NPRYEGVBSAOVDD-MRXNPFEDSA-N 1 1 262.441 3.734 10 0 CHAEMO CCCCN(CC)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000022150062 171358262 /nfs/dbraw/zinc/35/82/62/171358262.db2.gz NPRYEGVBSAOVDD-MRXNPFEDSA-N 1 1 262.441 3.734 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@](CN)([N@@H+](C)C2CCCCC2)C1 ZINC000035176646 172029420 /nfs/dbraw/zinc/02/94/20/172029420.db2.gz VGXPGIUBORNBEI-WMLDXEAASA-N 1 1 266.473 3.795 10 0 CHAEMO CC[N@@H+](C1CCCCC1)[C@](C)(CN)CCc1ccccc1 ZINC000035176719 172030173 /nfs/dbraw/zinc/03/01/73/172030173.db2.gz BUCPGQIFBGITNY-IBGZPJMESA-N 1 1 288.479 3.991 10 0 CHAEMO Cc1cc(C)c([C@H](N)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206603 172050586 /nfs/dbraw/zinc/05/05/86/172050586.db2.gz IRSIJKSQUXLQKU-GOSISDBHSA-N 1 1 282.431 3.744 10 0 CHAEMO Cc1cc(C)c([C@H](N)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206603 172050589 /nfs/dbraw/zinc/05/05/89/172050589.db2.gz IRSIJKSQUXLQKU-GOSISDBHSA-N 1 1 282.431 3.744 10 0 CHAEMO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000035206600 172050753 /nfs/dbraw/zinc/05/07/53/172050753.db2.gz PSJJPWLLDPPLMW-RTBURBONSA-N 1 1 282.431 3.843 10 0 CHAEMO CC[N@@H+](C1CCCCC1)C1(CN)CCCCCC1 ZINC000035220711 172062508 /nfs/dbraw/zinc/06/25/08/172062508.db2.gz CKEKXLZGSICKFB-UHFFFAOYSA-N 1 1 252.446 3.693 10 0 CHAEMO C[NH2+][C@H](c1ccc(F)cc1)c1c(F)cc(F)cc1F ZINC000035469563 172220641 /nfs/dbraw/zinc/22/06/41/172220641.db2.gz YTHJQEWMFSTKCG-CQSZACIVSA-N 1 1 269.241 3.552 10 0 CHAEMO C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H]1CCCO1 ZINC000035736205 172389165 /nfs/dbraw/zinc/38/91/65/172389165.db2.gz CMUMDHCDYVYCCW-ZUZCIYMTSA-N 1 1 276.767 3.868 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccco1 ZINC000035738807 172392407 /nfs/dbraw/zinc/39/24/07/172392407.db2.gz DOLCZTXHBZTWRN-VHSXEESVSA-N 1 1 251.276 3.970 10 0 CHAEMO Cc1ccc(Nc2[nH+]ccc(C)c2N)cc1Br ZINC000036251176 172545644 /nfs/dbraw/zinc/54/56/44/172545644.db2.gz PWJBYOAWRCXXIP-UHFFFAOYSA-N 1 1 292.180 3.787 10 0 CHAEMO Nc1[nH+]c2cc(Cl)ccc2n1-c1ccc(F)cc1F ZINC000036889843 172784381 /nfs/dbraw/zinc/78/43/81/172784381.db2.gz KZZJSWCLKLZRTA-UHFFFAOYSA-N 1 1 279.677 3.539 10 0 CHAEMO CC[N@@H+]([C@H](CN)c1ccc(C)c(C)c1)C1CCCC1 ZINC000037180117 173013151 /nfs/dbraw/zinc/01/31/51/173013151.db2.gz IHEZQZNUNBFGPO-QGZVFWFLSA-N 1 1 260.425 3.568 10 0 CHAEMO CC(C)c1cccc(N[C@@H](C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000037221053 173040551 /nfs/dbraw/zinc/04/05/51/173040551.db2.gz AEKKEOPWAKARAO-GOEBONIOSA-N 1 1 260.425 3.952 10 0 CHAEMO CC(C)[C@H]([NH2+]CCCN1CCCCC1)c1cccs1 ZINC000037229284 173048901 /nfs/dbraw/zinc/04/89/01/173048901.db2.gz ARMXQIOSEVJPSQ-INIZCTEOSA-N 1 1 280.481 3.911 10 0 CHAEMO CC[C@H](C(=O)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037331868 173133460 /nfs/dbraw/zinc/13/34/60/173133460.db2.gz QGYKWSOFMCWJIP-IJEWVQPXSA-N 1 1 259.393 3.626 10 0 CHAEMO CC[C@H](C)[N@@H+](CC)CC(=O)c1c(C)cc(C)cc1C ZINC000037336714 173137565 /nfs/dbraw/zinc/13/75/65/173137565.db2.gz ZJFCFYAXOGKZDU-HNNXBMFYSA-N 1 1 261.409 3.915 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(N)cccc2Br)C1 ZINC000037401817 173178159 /nfs/dbraw/zinc/17/81/59/173178159.db2.gz HEOFDTGJHSXGJG-PHIMTYICSA-N 1 1 297.240 3.509 10 0 CHAEMO CCCc1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121866 175143122 /nfs/dbraw/zinc/14/31/22/175143122.db2.gz JICXLKONOIVWJB-DAYGRLMNSA-N 1 1 275.436 3.935 10 0 CHAEMO CCCCc1ccc([C@H]([C@H](C)[NH3+])N2CCCC2)cc1 ZINC000071587075 176214221 /nfs/dbraw/zinc/21/42/21/176214221.db2.gz AVRPZTCMOASPCP-YOEHRIQHSA-N 1 1 260.425 3.513 10 0 CHAEMO CCCCc1ccc([C@@H]([C@H](C)[NH3+])N2CCCC2)cc1 ZINC000071587074 176214263 /nfs/dbraw/zinc/21/42/63/176214263.db2.gz AVRPZTCMOASPCP-WMLDXEAASA-N 1 1 260.425 3.513 10 0 CHAEMO Cc1ccncc1-c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000333241942 228194705 /nfs/dbraw/zinc/19/47/05/228194705.db2.gz WMXZTWOSVAFEPY-HNNXBMFYSA-N 1 1 298.390 3.520 10 0 CHAEMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179621867 260058390 /nfs/dbraw/zinc/05/83/90/260058390.db2.gz IGHJJOQPBACDNG-BTKRWWFXSA-N 1 1 299.336 3.983 10 0 CHAEMO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000070939254 260158481 /nfs/dbraw/zinc/15/84/81/260158481.db2.gz XGFXECKHJJIOKN-CQSZACIVSA-N 1 1 277.371 3.928 10 0 CHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000090226446 260456719 /nfs/dbraw/zinc/45/67/19/260456719.db2.gz PTOYOCOZZOCCFD-ZLIFDBKOSA-N 1 1 296.418 3.650 10 0 CHAEMO Cc1ccccc1CCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000175972422 261257796 /nfs/dbraw/zinc/25/77/96/261257796.db2.gz ZXKAGPFLLPZURK-GOSISDBHSA-N 1 1 283.419 3.878 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000106225648 261323493 /nfs/dbraw/zinc/32/34/93/261323493.db2.gz JXXSRJCPIWYJPB-MRXNPFEDSA-N 1 1 289.810 3.682 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106219821 261323792 /nfs/dbraw/zinc/32/37/92/261323792.db2.gz KRVVOBVQZSZCAN-YOEHRIQHSA-N 1 1 287.382 3.729 10 0 CHAEMO Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664134 261339886 /nfs/dbraw/zinc/33/98/86/261339886.db2.gz VUYUOKLOCWPNQN-WMZOPIPTSA-N 1 1 295.430 3.855 10 0 CHAEMO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791523 261358353 /nfs/dbraw/zinc/35/83/53/261358353.db2.gz FBUPHOPAZUKUES-VHSXEESVSA-N 1 1 296.827 3.569 10 0 CHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000093585355 265186654 /nfs/dbraw/zinc/18/66/54/265186654.db2.gz VZBRBOIAYCNREY-CZUORRHYSA-N 1 1 297.801 3.606 10 0 CHAEMO Clc1ncc(C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)s1 ZINC000363037930 267074235 /nfs/dbraw/zinc/07/42/35/267074235.db2.gz PYRYKPMMJISWBY-ONGXEEELSA-N 1 1 256.802 3.561 10 0 CHAEMO Clc1ncc(C[N@H+]2C[C@@H]3CCCCC[C@@H]32)s1 ZINC000363037930 267074238 /nfs/dbraw/zinc/07/42/38/267074238.db2.gz PYRYKPMMJISWBY-ONGXEEELSA-N 1 1 256.802 3.561 10 0 CHAEMO c1coc([C@H]2CCC[N@H+]2Cc2nc3ccccc3o2)c1 ZINC000116294231 267137816 /nfs/dbraw/zinc/13/78/16/267137816.db2.gz KOTCPSDEJWZOCV-CYBMUJFWSA-N 1 1 268.316 3.758 10 0 CHAEMO c1coc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000116294231 267137819 /nfs/dbraw/zinc/13/78/19/267137819.db2.gz KOTCPSDEJWZOCV-CYBMUJFWSA-N 1 1 268.316 3.758 10 0 CHAEMO Fc1ccc(N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000040671184 328015387 /nfs/dbraw/zinc/01/53/87/328015387.db2.gz MHEHQCMVAJIAOC-GOSISDBHSA-N 1 1 284.378 3.555 10 0 CHAEMO COc1cc(C[N@H+]2CCC[C@H]2c2ccco2)ccc1C ZINC000193938356 329064150 /nfs/dbraw/zinc/06/41/50/329064150.db2.gz WHLKJIPPBUVXRX-HNNXBMFYSA-N 1 1 271.360 3.934 10 0 CHAEMO Cc1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c(C)s1 ZINC000178323917 329198715 /nfs/dbraw/zinc/19/87/15/329198715.db2.gz TYEDFBJWYKLACF-INIZCTEOSA-N 1 1 289.448 3.534 10 0 CHAEMO CCC[C@@H](C)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000180136176 329213375 /nfs/dbraw/zinc/21/33/75/329213375.db2.gz GPYMWXDYYYPZNX-IUODEOHRSA-N 1 1 263.429 3.610 10 0 CHAEMO ClC(Cl)(Cl)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000184658193 329261894 /nfs/dbraw/zinc/26/18/94/329261894.db2.gz DQNCABMUWAKOKR-JTQLQIEISA-N 1 1 296.629 3.697 10 0 CHAEMO ClC(Cl)(Cl)CC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000184658193 329261896 /nfs/dbraw/zinc/26/18/96/329261896.db2.gz DQNCABMUWAKOKR-JTQLQIEISA-N 1 1 296.629 3.697 10 0 CHAEMO C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000379615233 330141728 /nfs/dbraw/zinc/14/17/28/330141728.db2.gz AKTAEYQPGUCCGF-AEFFLSMTSA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000379615233 330141729 /nfs/dbraw/zinc/14/17/29/330141729.db2.gz AKTAEYQPGUCCGF-AEFFLSMTSA-N 1 1 298.430 3.985 10 0 CHAEMO CC(C)(C)c1csc([C@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000120174614 330385979 /nfs/dbraw/zinc/38/59/79/330385979.db2.gz YMTVOGSRVOTCND-CYBMUJFWSA-N 1 1 294.464 3.757 10 0 CHAEMO CC(C)(C)c1csc([C@H]2C[N@H+](C3CCCC3)CCO2)n1 ZINC000120174614 330385980 /nfs/dbraw/zinc/38/59/80/330385980.db2.gz YMTVOGSRVOTCND-CYBMUJFWSA-N 1 1 294.464 3.757 10 0 CHAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccsc1 ZINC000090773387 330395742 /nfs/dbraw/zinc/39/57/42/330395742.db2.gz APBBKTAAQMVIGE-UKRRQHHQSA-N 1 1 266.454 3.519 10 0 CHAEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccsc1 ZINC000090773387 330395743 /nfs/dbraw/zinc/39/57/43/330395743.db2.gz APBBKTAAQMVIGE-UKRRQHHQSA-N 1 1 266.454 3.519 10 0 CHAEMO CCc1cccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000189220891 333186242 /nfs/dbraw/zinc/18/62/42/333186242.db2.gz NLQMINAERBVYME-SFHVURJKSA-N 1 1 283.419 3.591 10 0 CHAEMO C[C@H](NC[C@@H]1CCC[N@H+]1C)c1cc(Cl)ccc1Cl ZINC000222704404 333199044 /nfs/dbraw/zinc/19/90/44/333199044.db2.gz HQIBGZDQTATTPM-JQWIXIFHSA-N 1 1 287.234 3.738 10 0 CHAEMO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073976 333275597 /nfs/dbraw/zinc/27/55/97/333275597.db2.gz JMUZSJJLAYTFCM-YJBOKZPZSA-N 1 1 288.479 3.770 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3[nH]2)cc1F ZINC000136752951 334163168 /nfs/dbraw/zinc/16/31/68/334163168.db2.gz MBISJRMOUQWJGQ-LBPRGKRZSA-N 1 1 283.350 3.861 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C)c3)C2)c1 ZINC000247694411 334288522 /nfs/dbraw/zinc/28/85/22/334288522.db2.gz WKNUENNRTCGBMB-FUHWJXTLSA-N 1 1 283.419 3.898 10 0 CHAEMO CSc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247973183 334292647 /nfs/dbraw/zinc/29/26/47/334292647.db2.gz KADPSFQUYNOVNX-DOTOQJQBSA-N 1 1 291.460 3.536 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](CCc1ccccc1Cl)CC2 ZINC000247988785 334292889 /nfs/dbraw/zinc/29/28/89/334292889.db2.gz JCDZYEIRGURMOE-DOTOQJQBSA-N 1 1 293.838 3.510 10 0 CHAEMO CN1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250699487 334348880 /nfs/dbraw/zinc/34/88/80/334348880.db2.gz NMMNPHPFCPUCTR-OAGGEKHMSA-N 1 1 266.473 3.523 10 0 CHAEMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000090532445 334362816 /nfs/dbraw/zinc/36/28/16/334362816.db2.gz VEDHCYBLLPYCDX-RCBQFDQVSA-N 1 1 277.456 3.844 10 0 CHAEMO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000380599009 336003316 /nfs/dbraw/zinc/00/33/16/336003316.db2.gz ZCRHVFOXBSJHTH-DISONHOPSA-N 1 1 279.468 3.828 10 0 CHAEMO CCC[NH+](CCC)[C@H](CNC1CC1)c1ccccc1 ZINC000052416898 521649659 /nfs/dbraw/zinc/64/96/59/521649659.db2.gz KRVZNMWDQLQEET-QGZVFWFLSA-N 1 1 260.425 3.602 10 0 CHAEMO Cc1cc(N[C@@H](C)c2cccc(Cl)c2)nc(C)[nH+]1 ZINC000037981581 518187717 /nfs/dbraw/zinc/18/77/17/518187717.db2.gz UQAAAEINXYTTEU-JTQLQIEISA-N 1 1 261.756 3.920 10 0 CHAEMO CSc1ccc([C@H](C)[NH2+][C@H](C)c2cc[nH]n2)cc1 ZINC000037907559 519098140 /nfs/dbraw/zinc/09/81/40/519098140.db2.gz AFRVQVLZSNDQHO-WDEREUQCSA-N 1 1 261.394 3.543 10 0 CHAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025330 519313144 /nfs/dbraw/zinc/31/31/44/519313144.db2.gz DNJKJEBOUSNZOT-ZFWWWQNUSA-N 1 1 278.465 3.770 10 0 CHAEMO CC(C)CCC[C@@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601257 519643273 /nfs/dbraw/zinc/64/32/73/519643273.db2.gz KBIDDHOBQLJGTF-KFWWJZLASA-N 1 1 251.414 3.787 10 0 CHAEMO CC(C)[NH2+]CC[C@@H](C)N(Cc1cccs1)C(C)C ZINC000052545057 519722086 /nfs/dbraw/zinc/72/20/86/519722086.db2.gz HSLPWRWRSUMHMW-CQSZACIVSA-N 1 1 268.470 3.735 10 0 CHAEMO CC(C)[C@H]1C[N@@H+]([C@H]2CCC[C@@H](C)C2)[C@@H](C(C)C)CN1 ZINC000062663199 519827131 /nfs/dbraw/zinc/82/71/31/519827131.db2.gz HNZCHBMLQWVUED-YYIAUSFCSA-N 1 1 266.473 3.520 10 0 CHAEMO CCCNc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cn1 ZINC000050814926 520155253 /nfs/dbraw/zinc/15/52/53/520155253.db2.gz VZTBCYIPPBJYPU-ZDUSSCGKSA-N 1 1 263.429 3.770 10 0 CHAEMO CCCNc1nc2ccccc2cc1C[N@@H+](C)CC ZINC000050812781 520189380 /nfs/dbraw/zinc/18/93/80/520189380.db2.gz ZHDWQOVDFXUOBA-UHFFFAOYSA-N 1 1 257.381 3.508 10 0 CHAEMO CC1(C)C[N@@H+](C2CCCCC2)[C@@H](c2ccccc2)CN1 ZINC000062666538 520461988 /nfs/dbraw/zinc/46/19/88/520461988.db2.gz RZKHIBVQPJKSOM-QGZVFWFLSA-N 1 1 272.436 3.744 10 0 CHAEMO CC[N@@H+](C[C@H]1C[C@H](C(C)C)CCC1=O)C1CCCC1 ZINC000054559014 521273550 /nfs/dbraw/zinc/27/35/50/521273550.db2.gz DOUNAWRNRYRKFJ-HUUCEWRRSA-N 1 1 265.441 3.892 10 0 CHAEMO Clc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114203161 534649131 /nfs/dbraw/zinc/64/91/31/534649131.db2.gz HCCRFYRYSBWQBY-OAHLLOKOSA-N 1 1 275.783 3.790 10 0 CHAEMO Clc1ccccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114203161 534649149 /nfs/dbraw/zinc/64/91/49/534649149.db2.gz HCCRFYRYSBWQBY-OAHLLOKOSA-N 1 1 275.783 3.790 10 0 CHAEMO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C)C1)c1cccs1 ZINC000049529330 522691543 /nfs/dbraw/zinc/69/15/43/522691543.db2.gz RRQMZSLJLZZCED-MJBXVCDLSA-N 1 1 266.454 3.519 10 0 CHAEMO C[C@@H]1CCC[N@H+](CC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000050565843 524219725 /nfs/dbraw/zinc/21/97/25/524219725.db2.gz HNOMKXBDPMLVRP-VXGBXAGGSA-N 1 1 265.784 3.643 10 0 CHAEMO C[C@@H]1CCC[N@@H+](CC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000050565843 524219735 /nfs/dbraw/zinc/21/97/35/524219735.db2.gz HNOMKXBDPMLVRP-VXGBXAGGSA-N 1 1 265.784 3.643 10 0 CHAEMO C[C@@H]1CCC[C@H](CC[N@@H+]2CCO[C@H](c3nccs3)C2)C1 ZINC000150946328 524371207 /nfs/dbraw/zinc/37/12/07/524371207.db2.gz BFPXVGDOLSUJIQ-KFWWJZLASA-N 1 1 294.464 3.733 10 0 CHAEMO C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@H](c3nccs3)C2)C1 ZINC000150946328 524371218 /nfs/dbraw/zinc/37/12/18/524371218.db2.gz BFPXVGDOLSUJIQ-KFWWJZLASA-N 1 1 294.464 3.733 10 0 CHAEMO Cc1cc(N[C@H](c2cccs2)C(C)C)nc(C)[nH+]1 ZINC000049558310 525302098 /nfs/dbraw/zinc/30/20/98/525302098.db2.gz YQFXBNFTXWAPCZ-AWEZNQCLSA-N 1 1 261.394 3.964 10 0 CHAEMO C[C@H](NCC[NH+]1CCCCCCC1)c1cccs1 ZINC000053373840 525349688 /nfs/dbraw/zinc/34/96/88/525349688.db2.gz PKINOQAVOORENV-AWEZNQCLSA-N 1 1 266.454 3.665 10 0 CHAEMO C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(N)c[nH+]1 ZINC000062014017 526069508 /nfs/dbraw/zinc/06/95/08/526069508.db2.gz WRLIDFMVNVMCPN-JTQLQIEISA-N 1 1 261.756 3.515 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000156980825 526420660 /nfs/dbraw/zinc/42/06/60/526420660.db2.gz BRAADLHFWVXXDW-OAHLLOKOSA-N 1 1 272.417 3.831 10 0 CHAEMO Cc1[nH+]ccn1CCNc1cc(Cl)cc(Cl)c1 ZINC000049329812 527432799 /nfs/dbraw/zinc/43/27/99/527432799.db2.gz MLPPYVBUXDQDGO-UHFFFAOYSA-N 1 1 270.163 3.610 10 0 CHAEMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](C)O)s1 ZINC000036101564 566993464 /nfs/dbraw/zinc/99/34/64/566993464.db2.gz NOKHHCCRHIPJAM-LBPRGKRZSA-N 1 1 293.407 3.579 10 0 CHAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(N)ccc1Br ZINC000097814137 567073794 /nfs/dbraw/zinc/07/37/94/567073794.db2.gz ZOFMEQCFXWRAIX-PHIMTYICSA-N 1 1 297.240 3.794 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000685953608 567209914 /nfs/dbraw/zinc/20/99/14/567209914.db2.gz XDILKQHOGFIJLJ-HNNXBMFYSA-N 1 1 298.471 3.754 10 0 CHAEMO CCC(C)(C)C1CCC2(CC1)[C@H](N)CC[N@@H+]2C(C)C ZINC000712012440 567836808 /nfs/dbraw/zinc/83/68/08/567836808.db2.gz NRLHFVAKPXFJQH-ISXOHVOVSA-N 1 1 266.473 3.793 10 0 CHAEMO CCC(C)(C)C1CCC2(CC1)[C@H](N)CC[N@H+]2C(C)C ZINC000712012440 567836809 /nfs/dbraw/zinc/83/68/09/567836809.db2.gz NRLHFVAKPXFJQH-ISXOHVOVSA-N 1 1 266.473 3.793 10 0 CHAEMO CSc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000048409125 567892683 /nfs/dbraw/zinc/89/26/83/567892683.db2.gz DFFDWGGQKBFQOR-UHFFFAOYSA-N 1 1 283.400 3.575 10 0 CHAEMO CC(C)Oc1ccccc1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000057353420 567895082 /nfs/dbraw/zinc/89/50/82/567895082.db2.gz VQSMCKJGSCIJPU-UHFFFAOYSA-N 1 1 295.386 3.640 10 0 CHAEMO CCCOc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000057353417 567895182 /nfs/dbraw/zinc/89/51/82/567895182.db2.gz FXIWHWUWAFDFJU-UHFFFAOYSA-N 1 1 295.386 3.642 10 0 CHAEMO Nc1ccccc1SC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000098063912 567911397 /nfs/dbraw/zinc/91/13/97/567911397.db2.gz MPRLHELMLFULGS-UKRRQHHQSA-N 1 1 276.449 3.625 10 0 CHAEMO CCCc1ncc(C[N@@H+](Cc2ccncc2)[C@H](C)CC)cn1 ZINC000055384910 570242905 /nfs/dbraw/zinc/24/29/05/570242905.db2.gz SAUNCIQVSWMMRD-OAHLLOKOSA-N 1 1 298.434 3.625 10 0 CHAEMO CC(C)C[N@@H+](Cc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000055342423 570242917 /nfs/dbraw/zinc/24/29/17/570242917.db2.gz GPYOZLGQRWFKBN-UHFFFAOYSA-N 1 1 296.414 3.675 10 0 CHAEMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C4CCC4)C3)nc2c1 ZINC000194746527 1125557437 /nfs/dbraw/zinc/55/74/37/1125557437.db2.gz WXDFSNLZOKOIGH-CYBMUJFWSA-N 1 1 269.392 3.603 10 0 CHAEMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C4CCC4)C3)[nH]c2c1 ZINC000194746527 1125557442 /nfs/dbraw/zinc/55/74/42/1125557442.db2.gz WXDFSNLZOKOIGH-CYBMUJFWSA-N 1 1 269.392 3.603 10 0 CHAEMO Cc1ccc2nc([C@@H]3CCC[N@H+](C4CCC4)C3)[nH]c2c1 ZINC000194746527 1125557446 /nfs/dbraw/zinc/55/74/46/1125557446.db2.gz WXDFSNLZOKOIGH-CYBMUJFWSA-N 1 1 269.392 3.603 10 0 CHAEMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c[nH]1 ZINC000179974104 1120259918 /nfs/dbraw/zinc/25/99/18/1120259918.db2.gz UDFXZAPJPSHRAM-CQSZACIVSA-N 1 1 281.359 3.536 10 0 CHAEMO Cc1cc(N)[nH+]cc1-c1cc(Cl)cc(Cl)c1 ZINC000082730125 178247300 /nfs/dbraw/zinc/24/73/00/178247300.db2.gz JHBAPXMNNNHVIB-UHFFFAOYSA-N 1 1 253.132 3.946 10 0 CHAEMO Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(N)[nH+]1 ZINC000096150546 256741299 /nfs/dbraw/zinc/74/12/99/256741299.db2.gz RARIHCQJWAPPIR-UHFFFAOYSA-N 1 1 268.238 3.538 10 0 CHAEMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C/C=C/c1ccccc1 ZINC000005751636 170137233 /nfs/dbraw/zinc/13/72/33/170137233.db2.gz YMJMZFPZRVMNCH-ZLXMSIQFSA-N 1 1 281.399 3.754 10 0 in-man CHAEMO CCCC[C@@H](CC)CNc1cccc2c1C(=N)NC2=[NH2+] ZINC000008699938 170346265 /nfs/dbraw/zinc/34/62/65/170346265.db2.gz WXFDHSMDCITFSL-LLVKDONJSA-N 1 1 272.396 3.569 10 0 CHAEMO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129413 171018272 /nfs/dbraw/zinc/01/82/72/171018272.db2.gz PJAKJJLRVNLEOH-KSSFIOAISA-N 1 1 286.394 3.779 10 0 CHAEMO Cc1ccccc1[C@H](CN)[N@@H+](C)CC1CCCCC1 ZINC000020225468 171088525 /nfs/dbraw/zinc/08/85/25/171088525.db2.gz PNEAQVJGMITZDM-KRWDZBQOSA-N 1 1 260.425 3.507 10 0 CHAEMO Cc1ccccc1[C@H](C[NH3+])N(C)CC1CCCCC1 ZINC000020225468 171088527 /nfs/dbraw/zinc/08/85/27/171088527.db2.gz PNEAQVJGMITZDM-KRWDZBQOSA-N 1 1 260.425 3.507 10 0 CHAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000020369050 171166904 /nfs/dbraw/zinc/16/69/04/171166904.db2.gz REWRFCOGQHAZJS-HNNXBMFYSA-N 1 1 259.255 3.759 10 0 CHAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1cc(F)ccc1F ZINC000020369053 171166966 /nfs/dbraw/zinc/16/69/66/171166966.db2.gz PFZCJDMESYKWBK-OAHLLOKOSA-N 1 1 259.255 3.759 10 0 CHAEMO C[C@@H]1CCC[N@H+](C2(CN)CCC(C(C)(C)C)CC2)C1 ZINC000020549638 171246153 /nfs/dbraw/zinc/24/61/53/171246153.db2.gz IURKWGSOTKAMQA-HPUBIQBYSA-N 1 1 266.473 3.652 10 0 CHAEMO CC[N@H+]([C@H](CN)c1ccccc1Cl)C1CCCCC1 ZINC000020559713 171251612 /nfs/dbraw/zinc/25/16/12/171251612.db2.gz XAZWGJFOEORAGA-MRXNPFEDSA-N 1 1 280.843 3.994 10 0 CHAEMO CC[N@@H+]([C@H](CN)c1ccccc1Cl)C1CCCCC1 ZINC000020559713 171251613 /nfs/dbraw/zinc/25/16/13/171251613.db2.gz XAZWGJFOEORAGA-MRXNPFEDSA-N 1 1 280.843 3.994 10 0 CHAEMO CCCC[N@@H+](CC)C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020566474 171254905 /nfs/dbraw/zinc/25/49/05/171254905.db2.gz RXJCZKZFPIWNCK-AWDGRILASA-N 1 1 278.484 3.652 10 0 CHAEMO CCCCN(CC)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020566474 171254907 /nfs/dbraw/zinc/25/49/07/171254907.db2.gz RXJCZKZFPIWNCK-AWDGRILASA-N 1 1 278.484 3.652 10 0 CHAEMO Fc1cc(F)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595919 171264534 /nfs/dbraw/zinc/26/45/34/171264534.db2.gz GJXMBGNPWTXBSO-INIZCTEOSA-N 1 1 288.341 3.651 10 0 CHAEMO Fc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000020595833 171264649 /nfs/dbraw/zinc/26/46/49/171264649.db2.gz CPLNWYFTZHJHNZ-HNNXBMFYSA-N 1 1 288.341 3.651 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](N)c2ccc3ccccc3c2)C1 ZINC000021012542 171288069 /nfs/dbraw/zinc/28/80/69/171288069.db2.gz XJEDPFSJGLOWHH-ZRGWGRIASA-N 1 1 282.431 3.818 10 0 CHAEMO CC[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518300 171314473 /nfs/dbraw/zinc/31/44/73/171314473.db2.gz KUWAPMXHHBRRHO-FUHWJXTLSA-N 1 1 274.452 3.992 10 0 CHAEMO CC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518300 171314474 /nfs/dbraw/zinc/31/44/74/171314474.db2.gz KUWAPMXHHBRRHO-FUHWJXTLSA-N 1 1 274.452 3.992 10 0 CHAEMO CCOc1ccc([C@H](N)C[N@@H+](CC)C2CCCCC2)cc1 ZINC000021816720 171332434 /nfs/dbraw/zinc/33/24/34/171332434.db2.gz AWNZLDDHICDMRF-GOSISDBHSA-N 1 1 290.451 3.740 10 0 CHAEMO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@H+]1Cc1ccccc1 ZINC000021986724 171345670 /nfs/dbraw/zinc/34/56/70/171345670.db2.gz ORWWEAVWTJMTDI-ROUUACIJSA-N 1 1 274.452 3.531 10 0 CHAEMO CC(C)C[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccc1 ZINC000021986724 171345671 /nfs/dbraw/zinc/34/56/71/171345671.db2.gz ORWWEAVWTJMTDI-ROUUACIJSA-N 1 1 274.452 3.531 10 0 CHAEMO CC(C)[N@H+](C)[C@@H](CN)c1ccc(SC(F)(F)F)cc1 ZINC000022177496 171371614 /nfs/dbraw/zinc/37/16/14/171371614.db2.gz HHXBFJWEIFZPJH-LBPRGKRZSA-N 1 1 292.370 3.639 10 0 CHAEMO CC(C)[N@@H+](C)[C@@H](CN)c1ccc(SC(F)(F)F)cc1 ZINC000022177496 171371616 /nfs/dbraw/zinc/37/16/16/171371616.db2.gz HHXBFJWEIFZPJH-LBPRGKRZSA-N 1 1 292.370 3.639 10 0 CHAEMO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000035206599 172050807 /nfs/dbraw/zinc/05/08/07/172050807.db2.gz PSJJPWLLDPPLMW-MOPGFXCFSA-N 1 1 282.431 3.843 10 0 CHAEMO C[N@@H+](C1CCCCC1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000035219766 172061368 /nfs/dbraw/zinc/06/13/68/172061368.db2.gz UXTSKUIEIWJQAD-ROUUACIJSA-N 1 1 272.436 3.656 10 0 CHAEMO C[NH2+][C@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035491627 172225489 /nfs/dbraw/zinc/22/54/89/172225489.db2.gz UQGPBUIYVVTLPK-AWEZNQCLSA-N 1 1 267.706 3.927 10 0 CHAEMO CC[C@H](C)[C@H]([NH3+])c1nc(C)c(-c2ccc(C)cc2)[nH]1 ZINC000036877736 172773379 /nfs/dbraw/zinc/77/33/79/172773379.db2.gz NSARTJZQMSPDTI-FZMZJTMJSA-N 1 1 257.381 3.739 10 0 CHAEMO Clc1ccc([C@@H]([NH2+]C[C@@H]2CCCO2)c2ccco2)s1 ZINC000037215274 173035195 /nfs/dbraw/zinc/03/51/95/173035195.db2.gz XZLUKZKZPQGDRM-HZMBPMFUSA-N 1 1 297.807 3.853 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000037220189 173037907 /nfs/dbraw/zinc/03/79/07/173037907.db2.gz KVYKLFJHDWFYKU-VNHYZAJKSA-N 1 1 280.843 3.721 10 0 CHAEMO CN(C)C(C)(C)C[NH2+]C(c1cccs1)c1cccs1 ZINC000037220457 173038750 /nfs/dbraw/zinc/03/87/50/173038750.db2.gz MUCKTFZBYFXURH-UHFFFAOYSA-N 1 1 294.489 3.829 10 0 CHAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)c(F)c1 ZINC000037260323 173070776 /nfs/dbraw/zinc/07/07/76/173070776.db2.gz OUKZBRHLVNVYPL-QWRGUYRKSA-N 1 1 263.312 3.839 10 0 CHAEMO C[N@@H+](Cc1cc(N)ccc1Cl)C1CCCCC1 ZINC000037403019 173179560 /nfs/dbraw/zinc/17/95/60/173179560.db2.gz ZKWRGRVBJGQPSE-UHFFFAOYSA-N 1 1 252.789 3.687 10 0 CHAEMO Cc1ccccc1[C@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032460 174028144 /nfs/dbraw/zinc/02/81/44/174028144.db2.gz AGKUVSKFPVXOBK-AWEZNQCLSA-N 1 1 266.388 3.697 10 0 CHAEMO Cc1ccc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032474 174028174 /nfs/dbraw/zinc/02/81/74/174028174.db2.gz AQZYOIGUDSAARM-CQSZACIVSA-N 1 1 266.388 3.697 10 0 CHAEMO C[C@@H](CCc1ccccc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032472 174028604 /nfs/dbraw/zinc/02/86/04/174028604.db2.gz HXYBRSIRLMTCHQ-HNNXBMFYSA-N 1 1 280.415 3.648 10 0 CHAEMO CCc1ccc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032689 174028969 /nfs/dbraw/zinc/02/89/69/174028969.db2.gz FEGSDZAIHKEKQP-CQSZACIVSA-N 1 1 280.415 3.951 10 0 CHAEMO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032634 174028976 /nfs/dbraw/zinc/02/89/76/174028976.db2.gz UBEFWMWDFRWMJK-MLGOLLRUSA-N 1 1 282.387 3.544 10 0 CHAEMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032632 174028987 /nfs/dbraw/zinc/02/89/87/174028987.db2.gz UBEFWMWDFRWMJK-WBMJQRKESA-N 1 1 282.387 3.544 10 0 CHAEMO Cc1ccc([C@H](N)[C@H](C)[N@H+](C)[C@@H](C)CC(C)C)cc1 ZINC000042580926 174804756 /nfs/dbraw/zinc/80/47/56/174804756.db2.gz CSKOBJWWQCZTTB-YQQAZPJKSA-N 1 1 262.441 3.750 10 0 CHAEMO CCC[N@@H+](CC1CC1)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043035502 174950702 /nfs/dbraw/zinc/95/07/02/174950702.db2.gz IVNSKAJULUQPBK-RHSMWYFYSA-N 1 1 260.425 3.505 10 0 CHAEMO CC[NH2+][C@@H](C)CN(C1CCCCC1)C1CCCCC1 ZINC000044471745 175178120 /nfs/dbraw/zinc/17/81/20/175178120.db2.gz SBQGULKKCJIHLC-HNNXBMFYSA-N 1 1 266.473 3.952 10 0 CHAEMO C[C@H](C(=O)c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C ZINC000045084556 175303494 /nfs/dbraw/zinc/30/34/94/175303494.db2.gz ALTXMQVJSKJQQE-LLVKDONJSA-N 1 1 267.800 3.889 10 0 CHAEMO CCCCc1ccc([C@H]([C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000071587073 176214485 /nfs/dbraw/zinc/21/44/85/176214485.db2.gz AVRPZTCMOASPCP-PBHICJAKSA-N 1 1 260.425 3.513 10 0 CHAEMO C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357512 176376148 /nfs/dbraw/zinc/37/61/48/176376148.db2.gz BAFVYKRDRIOISR-KRWDZBQOSA-N 1 1 270.351 3.578 10 0 CHAEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(F)cc2F)c1C ZINC000051017059 260794525 /nfs/dbraw/zinc/79/45/25/260794525.db2.gz VWQDUHNEBFWEKD-SNVBAGLBSA-N 1 1 293.361 3.649 10 0 CHAEMO Fc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c1Br ZINC000449036752 261117518 /nfs/dbraw/zinc/11/75/18/261117518.db2.gz VJQISOWFPYCNDK-SKDRFNHKSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1cccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c1Br ZINC000449036752 261117520 /nfs/dbraw/zinc/11/75/20/261117520.db2.gz VJQISOWFPYCNDK-SKDRFNHKSA-N 1 1 284.172 3.573 10 0 CHAEMO CCc1csc([C@H]2CCCN(c3cccc(C)[nH+]3)C2)n1 ZINC000157322862 261144401 /nfs/dbraw/zinc/14/44/01/261144401.db2.gz YKGQUULRAYFRAU-ZDUSSCGKSA-N 1 1 287.432 3.793 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3)C2)c1 ZINC000106220013 261323604 /nfs/dbraw/zinc/32/36/04/261323604.db2.gz DCVWXFUOWRHKHY-SFHVURJKSA-N 1 1 283.419 3.645 10 0 CHAEMO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624563 261355999 /nfs/dbraw/zinc/35/59/99/261355999.db2.gz HKUPWYPCJMLEBS-KGLIPLIRSA-N 1 1 290.798 3.507 10 0 CHAEMO COc1cccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000120423004 262194797 /nfs/dbraw/zinc/19/47/97/262194797.db2.gz BJYIBGHREVFTAS-BEFAXECRSA-N 1 1 298.430 3.649 10 0 CHAEMO CCCC[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270153 262342425 /nfs/dbraw/zinc/34/24/25/262342425.db2.gz QFCNPLGUIQEJBO-ZZTKBFGJSA-N 1 1 289.423 3.727 10 0 CHAEMO CC(C)C[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270095 262342508 /nfs/dbraw/zinc/34/25/08/262342508.db2.gz IMGUAFHCPNCEQZ-ZZTKBFGJSA-N 1 1 289.423 3.583 10 0 CHAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000094826915 265260453 /nfs/dbraw/zinc/26/04/53/265260453.db2.gz 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CCCNc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cn1 ZINC000050814927 520153827 /nfs/dbraw/zinc/15/38/27/520153827.db2.gz VZTBCYIPPBJYPU-CYBMUJFWSA-N 1 1 263.429 3.770 10 0 CHAEMO CCCNc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2C)n1 ZINC000061630655 520162347 /nfs/dbraw/zinc/16/23/47/520162347.db2.gz NOHNZZMPPYBPFU-GFCCVEGCSA-N 1 1 281.831 3.931 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@@H+](C)CC(C)(C)C)n1 ZINC000061638738 520306976 /nfs/dbraw/zinc/30/69/76/520306976.db2.gz SVZOTTFQNROFMN-UHFFFAOYSA-N 1 1 269.820 3.645 10 0 CHAEMO CC1(C)C[N@H+](C2CCCCC2)[C@H](Cc2ccccc2)CN1 ZINC000062673055 520463522 /nfs/dbraw/zinc/46/35/22/520463522.db2.gz NGFBLZCFPYWECF-GOSISDBHSA-N 1 1 286.463 3.614 10 0 CHAEMO CC[N@H+](Cc1nc2sccc2c(Cl)n1)CC(C)C ZINC000050839934 521456777 /nfs/dbraw/zinc/45/67/77/521456777.db2.gz UWUJWCWJOKAZMQ-UHFFFAOYSA-N 1 1 283.828 3.823 10 0 CHAEMO CCC[N@@H+](CC)[C@H](CN)c1csc2ccccc21 ZINC000054464015 521614852 /nfs/dbraw/zinc/61/48/52/521614852.db2.gz XYCHXYUPRNCMGB-CQSZACIVSA-N 1 1 262.422 3.633 10 0 CHAEMO CCCN(CC)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464015 521614854 /nfs/dbraw/zinc/61/48/54/521614854.db2.gz XYCHXYUPRNCMGB-CQSZACIVSA-N 1 1 262.422 3.633 10 0 CHAEMO C[N@H+](Cc1ccc(Cl)cc1N)Cc1ccccc1F ZINC000050442938 523229393 /nfs/dbraw/zinc/22/93/93/523229393.db2.gz CDYHWIDHIRSTDA-UHFFFAOYSA-N 1 1 278.758 3.693 10 0 CHAEMO C[N@@H+](Cc1ccc(Cl)cc1N)Cc1ccccc1F ZINC000050442938 523229405 /nfs/dbraw/zinc/22/94/05/523229405.db2.gz CDYHWIDHIRSTDA-UHFFFAOYSA-N 1 1 278.758 3.693 10 0 CHAEMO CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054560990 523933887 /nfs/dbraw/zinc/93/38/87/523933887.db2.gz KYHWBUSPKZBTFU-FZKCQIBNSA-N 1 1 255.446 3.540 10 0 CHAEMO C[C@H]1CCC[C@H]([N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000062666573 524204114 /nfs/dbraw/zinc/20/41/14/524204114.db2.gz NLEJSRFQDHZAFS-SZMVWBNQSA-N 1 1 272.436 3.602 10 0 CHAEMO COc1ccc([C@@H](C)Nc2cccc(C)[nH+]2)cc1OC ZINC000040491194 525165947 /nfs/dbraw/zinc/16/59/47/525165947.db2.gz DHHISSUJMASYHC-GFCCVEGCSA-N 1 1 272.348 3.580 10 0 CHAEMO C[C@H](Nc1ccc(N)c[nH+]1)c1ccc(Br)cc1 ZINC000049525220 525654678 /nfs/dbraw/zinc/65/46/78/525654678.db2.gz XZTUGUSSQVBXBI-VIFPVBQESA-N 1 1 292.180 3.599 10 0 CHAEMO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613479 525684219 /nfs/dbraw/zinc/68/42/19/525684219.db2.gz WIHVFBGDRBENQU-STQMWFEESA-N 1 1 298.390 3.659 10 0 CHAEMO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743512 525689195 /nfs/dbraw/zinc/68/91/95/525689195.db2.gz ANHIZAPXDDOFRP-ABAIWWIYSA-N 1 1 288.778 3.909 10 0 CHAEMO C[C@@H](Nc1[nH+]cccc1N)c1cccc(Br)c1 ZINC000049564110 525729876 /nfs/dbraw/zinc/72/98/76/525729876.db2.gz DSLAKGUHNVKTLA-SECBINFHSA-N 1 1 292.180 3.599 10 0 CHAEMO Cc1c[nH]nc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000289602491 526033970 /nfs/dbraw/zinc/03/39/70/526033970.db2.gz VCAHODKWSMYQOW-INIZCTEOSA-N 1 1 269.392 3.521 10 0 CHAEMO Clc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)s1 ZINC000293532992 526943414 /nfs/dbraw/zinc/94/34/14/526943414.db2.gz CAQVZDHUMQUCHE-CQSZACIVSA-N 1 1 297.851 3.793 10 0 CHAEMO [NH3+]C[C@@H](c1csc2ccccc12)N1CCCCCC1 ZINC000054463879 527208221 /nfs/dbraw/zinc/20/82/21/527208221.db2.gz JIRIXFAYRLYMBT-HNNXBMFYSA-N 1 1 274.433 3.777 10 0 CHAEMO [NH3+][C@H](c1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000058376870 527392934 /nfs/dbraw/zinc/39/29/34/527392934.db2.gz OLNLGTLCVLUNOZ-HNNXBMFYSA-N 1 1 266.369 3.858 10 0 CHAEMO COc1cccc(C[N@@H+](C[C@@H](O)c2ccccc2)C(C)C)c1 ZINC000036031117 566993451 /nfs/dbraw/zinc/99/34/51/566993451.db2.gz SBUFYKHKBYYGGU-LJQANCHMSA-N 1 1 299.414 3.639 10 0 CHAEMO C[C@@H]1CCC[N@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952309 567209158 /nfs/dbraw/zinc/20/91/58/567209158.db2.gz FJDBTJOYDJZVCO-CABCVRRESA-N 1 1 296.455 3.508 10 0 CHAEMO CC(C)[N@H+]1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712016624 567836773 /nfs/dbraw/zinc/83/67/73/567836773.db2.gz DKZJGGVJBVECPO-UHFFFAOYSA-N 1 1 251.414 3.645 10 0 CHAEMO CCC[N@@H+]1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000712128188 567837615 /nfs/dbraw/zinc/83/76/15/567837615.db2.gz VMKAQTADUQFOIK-UHFFFAOYSA-N 1 1 251.414 3.646 10 0 CHAEMO CCC[N@H+]1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000712128188 567837616 /nfs/dbraw/zinc/83/76/16/567837616.db2.gz VMKAQTADUQFOIK-UHFFFAOYSA-N 1 1 251.414 3.646 10 0 CHAEMO Cc1cnccc1C[N@H+](C)Cc1cc2ccccc2n1C ZINC000065398793 567899073 /nfs/dbraw/zinc/89/90/73/567899073.db2.gz QYHLGFBDEYUIHY-UHFFFAOYSA-N 1 1 279.387 3.514 10 0 CHAEMO CCC[N@@H+](Cc1ccccn1)Cc1ccccc1OC ZINC000055041941 570240468 /nfs/dbraw/zinc/24/04/68/570240468.db2.gz VADLUKMCGUQHGD-UHFFFAOYSA-N 1 1 270.376 3.502 10 0 CHAEMO C[C@H]1CCC[N@H+](C2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685961518 570406826 /nfs/dbraw/zinc/40/68/26/570406826.db2.gz SLWUQPMHORFBJH-AWEZNQCLSA-N 1 1 296.455 3.508 10 0 CHAEMO C[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCCCCCC1 ZINC000105608763 1123059239 /nfs/dbraw/zinc/05/92/39/1123059239.db2.gz QMASRIFTNZBKAV-UHFFFAOYSA-N 1 1 289.379 3.874 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](CCC1CCCCC1)CC2 ZINC000311363193 260243555 /nfs/dbraw/zinc/24/35/55/260243555.db2.gz CDHNYLMWKNQVRY-DLBZAZTESA-N 1 1 265.441 3.584 10 0 CHAEMO CCCc1[nH+]c(-c2ccccc2Cl)c(N)n1CC ZINC000103500961 185846066 /nfs/dbraw/zinc/84/60/66/185846066.db2.gz XPLVEQBAIPRMEZ-UHFFFAOYSA-N 1 1 263.772 3.758 10 0 CHAEMO CC(C)C[C@@H]([NH3+])c1nc2cc(Br)ccc2o1 ZINC000087049412 179388795 /nfs/dbraw/zinc/38/87/95/179388795.db2.gz FPELSUGBQRPMMQ-SECBINFHSA-N 1 1 283.169 3.636 10 0 CHAEMO CC(C)CC[NH2+]C1CCN(CCCc2ccccc2)CC1 ZINC000090769209 180038097 /nfs/dbraw/zinc/03/80/97/180038097.db2.gz RCXXJUVICVTYAY-UHFFFAOYSA-N 1 1 288.479 3.719 10 0 CHAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc3ccccc3c2)cn1 ZINC000171413472 335065366 /nfs/dbraw/zinc/06/53/66/335065366.db2.gz BSKKVZRJQGMWQP-LJQANCHMSA-N 1 1 291.398 3.910 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)c1 ZINC000171529219 335068977 /nfs/dbraw/zinc/06/89/77/335068977.db2.gz RSPBFPPKZXJIAM-MRXNPFEDSA-N 1 1 289.448 3.707 10 0 CHAEMO c1c[nH+]c([C@H]2CC2(c2ccccc2)c2ccccc2)[nH]1 ZINC000005117341 170067897 /nfs/dbraw/zinc/06/78/97/170067897.db2.gz YHOXISQVIBOZGS-MRXNPFEDSA-N 1 1 260.340 3.883 10 0 CHAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(C)s1 ZINC000020121848 171001012 /nfs/dbraw/zinc/00/10/12/171001012.db2.gz KGYNSRWARFVZSW-VHSXEESVSA-N 1 1 261.394 3.567 10 0 CHAEMO Cc1ccccc1[C@H](C)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000020129395 171016933 /nfs/dbraw/zinc/01/69/33/171016933.db2.gz OOEMEKRRCOTUKZ-LPHOPBHVSA-N 1 1 282.431 3.949 10 0 CHAEMO C[C@H]([NH2+]Cc1ccncc1)c1ccccc1Br ZINC000020139894 171026642 /nfs/dbraw/zinc/02/66/42/171026642.db2.gz WHWSURYRFRSBAP-NSHDSACASA-N 1 1 291.192 3.695 10 0 CHAEMO C[C@@H]([NH2+]Cc1c(F)cccc1F)c1cccc(F)c1 ZINC000020147776 171035337 /nfs/dbraw/zinc/03/53/37/171035337.db2.gz QNHKQWMAUBKSNE-SNVBAGLBSA-N 1 1 265.278 3.955 10 0 CHAEMO CCCC[NH+](CCCC)[C@@H](CN)c1ccccc1F ZINC000020484985 171224411 /nfs/dbraw/zinc/22/44/11/171224411.db2.gz VTEOOEIUBUGKTM-INIZCTEOSA-N 1 1 266.404 3.728 10 0 CHAEMO CCCC[NH+](CCCC)[C@@H](CN)c1ccccc1OC ZINC000020484724 171224590 /nfs/dbraw/zinc/22/45/90/171224590.db2.gz XVZHBFJZMGVWQL-INIZCTEOSA-N 1 1 278.440 3.597 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552829 171248393 /nfs/dbraw/zinc/24/83/93/171248393.db2.gz LNLOQXIKTZDOKA-KXBFYZLASA-N 1 1 286.463 3.588 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@@](CN)([N@H+]2CCc3ccccc3C2)C1 ZINC000020552829 171248394 /nfs/dbraw/zinc/24/83/94/171248394.db2.gz LNLOQXIKTZDOKA-KXBFYZLASA-N 1 1 286.463 3.588 10 0 CHAEMO CC[NH+](CC)CCN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000020564651 171253455 /nfs/dbraw/zinc/25/34/55/171253455.db2.gz NBICQZAPHMEZBB-INIZCTEOSA-N 1 1 276.468 3.878 10 0 CHAEMO CCCC[N@@H+](C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020567069 171255329 /nfs/dbraw/zinc/25/53/29/171255329.db2.gz GLCHUXIKNUOCHA-MRXNPFEDSA-N 1 1 262.441 3.716 10 0 CHAEMO CCCCN(C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020567069 171255331 /nfs/dbraw/zinc/25/53/31/171255331.db2.gz GLCHUXIKNUOCHA-MRXNPFEDSA-N 1 1 262.441 3.716 10 0 CHAEMO CCN(CC)[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000021013691 171288761 /nfs/dbraw/zinc/28/87/61/171288761.db2.gz AVAKWBHVJIRYDX-RBUKOAKNSA-N 1 1 282.431 3.640 10 0 CHAEMO C[C@H]1CCCC[N@H+]1C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021504149 171307091 /nfs/dbraw/zinc/30/70/91/171307091.db2.gz NVTUOCJCGORCAK-WMLDXEAASA-N 1 1 274.452 3.858 10 0 CHAEMO C[C@H]1CCCCN1C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021504149 171307092 /nfs/dbraw/zinc/30/70/92/171307092.db2.gz NVTUOCJCGORCAK-WMLDXEAASA-N 1 1 274.452 3.858 10 0 CHAEMO N[C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCC1 ZINC000021511245 171310646 /nfs/dbraw/zinc/31/06/46/171310646.db2.gz RJUMBKUDPZXRPG-CVEARBPZSA-N 1 1 252.446 3.693 10 0 CHAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000021794236 171324545 /nfs/dbraw/zinc/32/45/45/171324545.db2.gz SEWYBRPMUHUFTI-XJISEUOASA-N 1 1 290.495 3.793 10 0 CHAEMO C[C@@H]1CCC[C@H](C)N1C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021794236 171324546 /nfs/dbraw/zinc/32/45/46/171324546.db2.gz SEWYBRPMUHUFTI-XJISEUOASA-N 1 1 290.495 3.793 10 0 CHAEMO C[C@H]1CCC[C@H](C)N1C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000021794242 171324812 /nfs/dbraw/zinc/32/48/12/171324812.db2.gz SEWYBRPMUHUFTI-FCUZTIEGSA-N 1 1 290.495 3.793 10 0 CHAEMO CCCC[N@@H+](C)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021798418 171325353 /nfs/dbraw/zinc/32/53/53/171325353.db2.gz VAPGDFQOKJRLAU-INIZCTEOSA-N 1 1 262.441 3.716 10 0 CHAEMO CCCCN(C)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021798418 171325355 /nfs/dbraw/zinc/32/53/55/171325355.db2.gz VAPGDFQOKJRLAU-INIZCTEOSA-N 1 1 262.441 3.716 10 0 CHAEMO CC1CCN(C[C@H]([NH3+])c2cccc3ccccc32)CC1 ZINC000022563661 171391437 /nfs/dbraw/zinc/39/14/37/171391437.db2.gz MFCNNYHJCRUSDA-SFHVURJKSA-N 1 1 268.404 3.572 10 0 CHAEMO CCCC(CN)(CCC)[N@@H+](CC)C1CCCCC1 ZINC000035176718 172030131 /nfs/dbraw/zinc/03/01/31/172030131.db2.gz IJGWMMRXPCNWNB-UHFFFAOYSA-N 1 1 254.462 3.939 10 0 CHAEMO CC[N@@H+](C1CCCCC1)[C@]1(CN)CCCC[C@@H]1C ZINC000035176748 172030333 /nfs/dbraw/zinc/03/03/33/172030333.db2.gz FVVOFXWQDUDYGR-HOCLYGCPSA-N 1 1 252.446 3.549 10 0 CHAEMO Cc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)o1 ZINC000035382405 172165625 /nfs/dbraw/zinc/16/56/25/172165625.db2.gz WFGZGWDSNZUDKY-GFCCVEGCSA-N 1 1 256.132 3.943 10 0 CHAEMO CC[NH2+][C@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035544869 172253038 /nfs/dbraw/zinc/25/30/38/172253038.db2.gz XKBHIPRDQYTKNR-SECBINFHSA-N 1 1 271.204 3.707 10 0 CHAEMO CCc1ccc(C(=O)[C@H](C)[N@@H+](C)C2CCCC2)cc1 ZINC000037334815 173134986 /nfs/dbraw/zinc/13/49/86/173134986.db2.gz ORIGGULSPQVCHH-ZDUSSCGKSA-N 1 1 259.393 3.695 10 0 CHAEMO Cc1ccc(C(=O)[C@@H](C)[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000037339083 173140736 /nfs/dbraw/zinc/14/07/36/173140736.db2.gz WGIHDUASLBKQJU-LSDHHAIUSA-N 1 1 261.409 3.851 10 0 CHAEMO C[C@H](c1ccccc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032477 174028794 /nfs/dbraw/zinc/02/87/94/174028794.db2.gz VIXSUHRREPRRDL-GFCCVEGCSA-N 1 1 270.351 3.527 10 0 CHAEMO C[C@H](CCc1ccccc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032473 174029157 /nfs/dbraw/zinc/02/91/57/174029157.db2.gz HXYBRSIRLMTCHQ-OAHLLOKOSA-N 1 1 280.415 3.648 10 0 CHAEMO Cc1noc(C[NH2+][C@@H](C)c2sc3ccccc3c2C)n1 ZINC000038033968 174031826 /nfs/dbraw/zinc/03/18/26/174031826.db2.gz UJPOFZAJYZFLHQ-JTQLQIEISA-N 1 1 287.388 3.752 10 0 CHAEMO CCCOc1ccc([C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121843 175143245 /nfs/dbraw/zinc/14/32/45/175143245.db2.gz NEEWLURPUDEZLZ-RVKKMQEKSA-N 1 1 291.435 3.772 10 0 CHAEMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(N)c1-3 ZINC000072178423 176334889 /nfs/dbraw/zinc/33/48/89/176334889.db2.gz LKVRAIZDZUXRII-QGZVFWFLSA-N 1 1 278.399 3.801 10 0 CHAEMO Fc1cc(C[NH2+][C@@H]2COc3ccccc32)ccc1Cl ZINC000070070157 260151509 /nfs/dbraw/zinc/15/15/09/260151509.db2.gz AHLHWZWLJDFFNM-CQSZACIVSA-N 1 1 277.726 3.702 10 0 CHAEMO CCCCC[N@@H+](Cc1nc(-c2ccoc2)no1)C(C)C ZINC000105608014 261311505 /nfs/dbraw/zinc/31/15/05/261311505.db2.gz VSRMEFRDJQNZCF-UHFFFAOYSA-N 1 1 277.368 3.730 10 0 CHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956659 264338095 /nfs/dbraw/zinc/33/80/95/264338095.db2.gz ZMNVTASBGXTFSF-IRXDYDNUSA-N 1 1 288.435 3.560 10 0 CHAEMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116295657 267137703 /nfs/dbraw/zinc/13/77/03/267137703.db2.gz ZARHTGFVGBJPIB-MRXNPFEDSA-N 1 1 298.386 3.672 10 0 CHAEMO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116295657 267137707 /nfs/dbraw/zinc/13/77/07/267137707.db2.gz ZARHTGFVGBJPIB-MRXNPFEDSA-N 1 1 298.386 3.672 10 0 CHAEMO CCCCOCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000040506480 327916528 /nfs/dbraw/zinc/91/65/28/327916528.db2.gz JUFXLGKRYRFCJH-KRWDZBQOSA-N 1 1 273.376 3.775 10 0 CHAEMO Fc1ccc(CC[N@H+]2CCC[C@@H]2c2ccco2)cc1F ZINC000152094435 328065179 /nfs/dbraw/zinc/06/51/79/328065179.db2.gz XKLFUPJARBMVMN-OAHLLOKOSA-N 1 1 277.314 3.937 10 0 CHAEMO C=Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccc(CC)o2)cn1 ZINC000193971350 329064117 /nfs/dbraw/zinc/06/41/17/329064117.db2.gz JYANZOVBTJTVII-MRXNPFEDSA-N 1 1 285.391 3.866 10 0 CHAEMO C=Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccc(CC)o2)cn1 ZINC000193971350 329064118 /nfs/dbraw/zinc/06/41/18/329064118.db2.gz JYANZOVBTJTVII-MRXNPFEDSA-N 1 1 285.391 3.866 10 0 CHAEMO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000172025363 329083418 /nfs/dbraw/zinc/08/34/18/329083418.db2.gz YIUWBYUPHBIMGJ-CQSZACIVSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000172025363 329083420 /nfs/dbraw/zinc/08/34/20/329083420.db2.gz YIUWBYUPHBIMGJ-CQSZACIVSA-N 1 1 263.287 3.895 10 0 CHAEMO CCc1csc([C@H]2CCC[N@@H+](CCCSC)C2)n1 ZINC000173603404 329149780 /nfs/dbraw/zinc/14/97/80/329149780.db2.gz KVHDZAQQUMHTAQ-LBPRGKRZSA-N 1 1 284.494 3.638 10 0 CHAEMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411261 329236589 /nfs/dbraw/zinc/23/65/89/329236589.db2.gz YXHRTZRHWIJDNO-KXBFYZLASA-N 1 1 289.382 3.917 10 0 CHAEMO FC(F)c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000183933092 329254733 /nfs/dbraw/zinc/25/47/33/329254733.db2.gz KRRPEWRLAPOVHO-UHFFFAOYSA-N 1 1 291.345 3.727 10 0 CHAEMO Cc1ccc(-c2n[nH]cc2CNc2[nH+]cccc2C)cc1 ZINC000184831651 329263213 /nfs/dbraw/zinc/26/32/13/329263213.db2.gz XINLLCCJQZWDHA-UHFFFAOYSA-N 1 1 278.359 3.701 10 0 CHAEMO C[C@H](CN1CCC[N@H+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085678 329353927 /nfs/dbraw/zinc/35/39/27/329353927.db2.gz QJQJUPRSPSWKND-CQSZACIVSA-N 1 1 292.854 3.614 10 0 CHAEMO C[C@H](C[N@@H+]1CCCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085678 329353928 /nfs/dbraw/zinc/35/39/28/329353928.db2.gz QJQJUPRSPSWKND-CQSZACIVSA-N 1 1 292.854 3.614 10 0 CHAEMO C[C@H](C[N@H+]1CCCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000187085678 329353929 /nfs/dbraw/zinc/35/39/29/329353929.db2.gz QJQJUPRSPSWKND-CQSZACIVSA-N 1 1 292.854 3.614 10 0 CHAEMO Clc1ccsc1C[NH2+][C@@H]1COc2ccccc21 ZINC000193087998 329438631 /nfs/dbraw/zinc/43/86/31/329438631.db2.gz WPWVTUWZZOVDTB-LLVKDONJSA-N 1 1 265.765 3.625 10 0 CHAEMO CC[C@@H](Nc1cc[nH+]cc1Br)C(C)C ZINC000165048372 329439730 /nfs/dbraw/zinc/43/97/30/329439730.db2.gz WYNDLJZPVYFZTC-SNVBAGLBSA-N 1 1 257.175 3.691 10 0 CHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000246268612 329810914 /nfs/dbraw/zinc/81/09/14/329810914.db2.gz AICWNLBDXINDAF-RCBQFDQVSA-N 1 1 296.418 3.568 10 0 CHAEMO Fc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1Br ZINC000533081724 330331677 /nfs/dbraw/zinc/33/16/77/330331677.db2.gz QORJVQIPEJJORF-GWCFXTLKSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cc1Br ZINC000533081724 330331678 /nfs/dbraw/zinc/33/16/78/330331678.db2.gz QORJVQIPEJJORF-GWCFXTLKSA-N 1 1 284.172 3.573 10 0 CHAEMO CC(C)c1nc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cs1 ZINC000090048453 330390003 /nfs/dbraw/zinc/39/00/03/330390003.db2.gz MEANWLOJAUKXRJ-RDBSUJKOSA-N 1 1 295.496 3.646 10 0 CHAEMO Cc1ccc2c(c1)[C@H](N[C@H](C[NH+](C)C)c1ccccc1)CC2 ZINC000163848319 331134599 /nfs/dbraw/zinc/13/45/99/331134599.db2.gz XNHDAEWMODBXKS-WOJBJXKFSA-N 1 1 294.442 3.875 10 0 CHAEMO C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000251989405 334372616 /nfs/dbraw/zinc/37/26/16/334372616.db2.gz ZERXMOYVNBOSDR-OLMMMNRUSA-N 1 1 284.447 3.841 10 0 CHAEMO C[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000251989405 334372617 /nfs/dbraw/zinc/37/26/17/334372617.db2.gz ZERXMOYVNBOSDR-OLMMMNRUSA-N 1 1 284.447 3.841 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1cc(F)ccc1Cl)CC2 ZINC000218946423 333139086 /nfs/dbraw/zinc/13/90/86/333139086.db2.gz YBVZCZAEPKRSPB-XJKSGUPXSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)o1 ZINC000220881980 333169976 /nfs/dbraw/zinc/16/99/76/333169976.db2.gz CMSDHVOEGNBLHL-SWLSCSKDSA-N 1 1 256.349 3.711 10 0 CHAEMO CC[N@@H+]1CCC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000229189939 333301251 /nfs/dbraw/zinc/30/12/51/333301251.db2.gz UIDXIBCEQITNTQ-ZDUSSCGKSA-N 1 1 287.234 3.567 10 0 CHAEMO CC[N@H+]1CCC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000229189939 333301253 /nfs/dbraw/zinc/30/12/53/333301253.db2.gz UIDXIBCEQITNTQ-ZDUSSCGKSA-N 1 1 287.234 3.567 10 0 CHAEMO CC(C)c1ccccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250472689 333305481 /nfs/dbraw/zinc/30/54/81/333305481.db2.gz RCRSDFWNTDOBIH-CABCVRRESA-N 1 1 258.409 3.849 10 0 CHAEMO CC[C@H]1CC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000080428881 334171492 /nfs/dbraw/zinc/17/14/92/334171492.db2.gz HYMVFNWPOSZZKN-MAUKXSAKSA-N 1 1 288.435 3.509 10 0 CHAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247118903 334275947 /nfs/dbraw/zinc/27/59/47/334275947.db2.gz AIUBQZJUZUBKTQ-IFIJOSMWSA-N 1 1 295.373 3.653 10 0 CHAEMO CSc1ccc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246908697 334271539 /nfs/dbraw/zinc/27/15/39/334271539.db2.gz FTCUUQCFGYTAJZ-JKIFEVAISA-N 1 1 292.492 3.788 10 0 CHAEMO CSc1ccc([C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246908697 334271541 /nfs/dbraw/zinc/27/15/41/334271541.db2.gz FTCUUQCFGYTAJZ-JKIFEVAISA-N 1 1 292.492 3.788 10 0 CHAEMO CSc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247973187 334292601 /nfs/dbraw/zinc/29/26/01/334292601.db2.gz KADPSFQUYNOVNX-RDJZCZTQSA-N 1 1 291.460 3.536 10 0 CHAEMO C[C@H](c1ccccc1F)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247998123 334293237 /nfs/dbraw/zinc/29/32/37/334293237.db2.gz KBEBOAQRMLWNKB-CPUCHLNUSA-N 1 1 277.383 3.514 10 0 CHAEMO CC[N@@H+](Cc1nccn1C(C)C)[C@H]1CCCC[C@H]1C ZINC000249374280 334332732 /nfs/dbraw/zinc/33/27/32/334332732.db2.gz NUGBIHUOHLCFRK-CABCVRRESA-N 1 1 263.429 3.865 10 0 CHAEMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000252419973 334379339 /nfs/dbraw/zinc/37/93/39/334379339.db2.gz XBNCOFTXYQOTFJ-ZWRZTWNMSA-N 1 1 278.484 3.662 10 0 CHAEMO COc1ccccc1/C=C\C[N@@H+](C)C1CCCCC1 ZINC000103857958 533956819 /nfs/dbraw/zinc/95/68/19/533956819.db2.gz CPKGKGZUEHHRRA-NTMALXAHSA-N 1 1 259.393 3.973 10 0 CHAEMO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@H+]1CCc1ccccc1 ZINC000062705170 519414582 /nfs/dbraw/zinc/41/45/82/519414582.db2.gz DEGZBUZTPRTAEV-OALUTQOASA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[C@H]1C[NH2+][C@H](C(C)C)CN1CCc1ccccc1 ZINC000062705170 519414587 /nfs/dbraw/zinc/41/45/87/519414587.db2.gz 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CN(C)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000169332732 188659158 /nfs/dbraw/zinc/65/91/58/188659158.db2.gz JKKRCPMOCSTNPD-WOJBJXKFSA-N 1 1 294.442 3.954 10 0 CHAEMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccccc1 ZINC000020129308 171016892 /nfs/dbraw/zinc/01/68/92/171016892.db2.gz MEBXHYYUBTYHNN-QAPCUYQASA-N 1 1 268.404 3.640 10 0 CHAEMO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129360 171017359 /nfs/dbraw/zinc/01/73/59/171017359.db2.gz PLJNDDORYZAITQ-RDTXWAMCSA-N 1 1 286.394 3.779 10 0 CHAEMO Fc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020135905 171023256 /nfs/dbraw/zinc/02/32/56/171023256.db2.gz GDOIVUNGSXUPCK-UHFFFAOYSA-N 1 1 272.348 3.725 10 0 CHAEMO Cc1cccc2cc([C@H]([NH3+])c3ccc(F)cc3)oc21 ZINC000020389203 171178384 /nfs/dbraw/zinc/17/83/84/171178384.db2.gz BRPCCYMLHKVURY-OAHLLOKOSA-N 1 1 255.292 3.928 10 0 CHAEMO CC(C)[C@@H](CN[C@H](C)c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000020554056 171249283 /nfs/dbraw/zinc/24/92/83/171249283.db2.gz CUOQRRVBWQMGCX-IAQYHMDHSA-N 1 1 286.822 3.716 10 0 CHAEMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020595933 171264349 /nfs/dbraw/zinc/26/43/49/171264349.db2.gz CXGJOZDZDDWDDP-GOSISDBHSA-N 1 1 266.388 3.681 10 0 CHAEMO Fc1cccc(F)c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020596031 171264549 /nfs/dbraw/zinc/26/45/49/171264549.db2.gz CFBRQCAIKJFQGT-AWEZNQCLSA-N 1 1 288.341 3.651 10 0 CHAEMO Fc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595850 171264720 /nfs/dbraw/zinc/26/47/20/171264720.db2.gz CIEOGISLVKTMAL-KRWDZBQOSA-N 1 1 270.351 3.512 10 0 CHAEMO CCCOc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000020928774 171280458 /nfs/dbraw/zinc/28/04/58/171280458.db2.gz IQAWBNVKMOFYOV-UHFFFAOYSA-N 1 1 290.794 3.814 10 0 CHAEMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000021047086 171294427 /nfs/dbraw/zinc/29/44/27/171294427.db2.gz QTACKTQGHNRGKW-KURKYZTESA-N 1 1 280.500 3.913 10 0 CHAEMO CC(C)[N@@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000021506290 171307961 /nfs/dbraw/zinc/30/79/61/171307961.db2.gz 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CCCC[N@@H+]([C@@H](C)CC)[C@@H]1Cc2ccccc2[C@@H]1N ZINC000042607090 174819299 /nfs/dbraw/zinc/81/92/99/174819299.db2.gz MYUZKUQUTZTHSK-XKQJLSEDSA-N 1 1 260.425 3.512 10 0 CHAEMO Cc1cc(C)c([C@@H](O)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000044120622 175142557 /nfs/dbraw/zinc/14/25/57/175142557.db2.gz LRMCVFKCNXZPBO-KRWDZBQOSA-N 1 1 275.436 3.910 10 0 CHAEMO CC(C)Oc1ccc([C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000044120882 175142811 /nfs/dbraw/zinc/14/28/11/175142811.db2.gz SGALNGRIYJVTCT-SFHVURJKSA-N 1 1 291.435 3.772 10 0 CHAEMO C[C@@H](C(=O)c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)C ZINC000045084554 175303757 /nfs/dbraw/zinc/30/37/57/175303757.db2.gz ALTXMQVJSKJQQE-NSHDSACASA-N 1 1 267.800 3.889 10 0 CHAEMO C[C@H](C(=O)c1cccc(Cl)c1)[N@@H+](C)C(C)(C)C ZINC000045302421 175355069 /nfs/dbraw/zinc/35/50/69/175355069.db2.gz BJLKZFUZNNATGZ-SNVBAGLBSA-N 1 1 253.773 3.642 10 0 in-vitro CHAEMO CCc1ccc(C[N@H+](Cc2ccncc2)[C@H](C)CC)nc1 ZINC000055119715 175571055 /nfs/dbraw/zinc/57/10/55/175571055.db2.gz 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ZINC000251653282 334366124 /nfs/dbraw/zinc/36/61/24/334366124.db2.gz KCBBOTNGTFPNGT-RBSFLKMASA-N 1 1 268.404 3.583 10 0 CHAEMO O=C(C[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000092064470 334393743 /nfs/dbraw/zinc/39/37/43/334393743.db2.gz OFAUXARDTKBLJB-MRXNPFEDSA-N 1 1 275.367 3.806 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3sccc3Cl)C2)c1 ZINC000194389167 336019519 /nfs/dbraw/zinc/01/95/19/336019519.db2.gz HIDYBSMOPRKKNX-LBPRGKRZSA-N 1 1 295.839 3.744 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3sccc3Cl)C2)c1 ZINC000194389167 336019520 /nfs/dbraw/zinc/01/95/20/336019520.db2.gz HIDYBSMOPRKKNX-LBPRGKRZSA-N 1 1 295.839 3.744 10 0 CHAEMO CCc1nc(N[C@@H](C)c2cccc(Cl)c2)cc(C)[nH+]1 ZINC000381852511 336074502 /nfs/dbraw/zinc/07/45/02/336074502.db2.gz SZCFWSMIAGIRHH-NSHDSACASA-N 1 1 275.783 3.596 10 0 CHAEMO CCCC[N@@H+]([C@H](C)CC)[C@@H](CN)c1ccc(C)cc1 ZINC000050280111 520552545 /nfs/dbraw/zinc/55/25/45/520552545.db2.gz OPYAAHURCIPBCR-WBVHZDCISA-N 1 1 262.441 3.895 10 0 CHAEMO CC(C)C[C@H]1CNCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062705199 519415445 /nfs/dbraw/zinc/41/54/45/519415445.db2.gz IIFHKTBIUUBMEA-SFHVURJKSA-N 1 1 288.479 3.804 10 0 CHAEMO CC(C)C[C@H]1CNCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000062705199 519415452 /nfs/dbraw/zinc/41/54/52/519415452.db2.gz IIFHKTBIUUBMEA-SFHVURJKSA-N 1 1 288.479 3.804 10 0 CHAEMO CCCC[N@@H+](C[C@](C)(O)c1ccccc1)[C@@H](C)CC ZINC000052097359 520541797 /nfs/dbraw/zinc/54/17/97/520541797.db2.gz FWNHRINBGNWUPR-RDJZCZTQSA-N 1 1 263.425 3.795 10 0 CHAEMO CCC[N@@H+](CC1CC1)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054559156 521624609 /nfs/dbraw/zinc/62/46/09/521624609.db2.gz GCPFANLUQRUKGI-HZPDHXFCSA-N 1 1 265.441 3.750 10 0 CHAEMO CCC[N@@H+](Cc1nc2sccc2c(Cl)n1)C(C)C ZINC000050839919 521695253 /nfs/dbraw/zinc/69/52/53/521695253.db2.gz IQRFGWRPXJTGJS-UHFFFAOYSA-N 1 1 283.828 3.965 10 0 CHAEMO CCS[C@H]1CC[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000226804398 521732796 /nfs/dbraw/zinc/73/27/96/521732796.db2.gz BZQLRIFIZZEOFL-ZJUUUORDSA-N 1 1 256.802 3.821 10 0 CHAEMO Clc1ccccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114203164 534649490 /nfs/dbraw/zinc/64/94/90/534649490.db2.gz HCCRFYRYSBWQBY-HNNXBMFYSA-N 1 1 275.783 3.790 10 0 CHAEMO Clc1ccccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114203164 534649491 /nfs/dbraw/zinc/64/94/91/534649491.db2.gz HCCRFYRYSBWQBY-HNNXBMFYSA-N 1 1 275.783 3.790 10 0 CHAEMO CC[C@@H](c1cccs1)[N@H+]1Cc2cccc(N)c2C1 ZINC000049531890 523108245 /nfs/dbraw/zinc/10/82/45/523108245.db2.gz YBCLHNGZXQEMPN-AWEZNQCLSA-N 1 1 258.390 3.797 10 0 CHAEMO C[C@@H]1CCC[N@H+](C2(CN)CCCCCCC2)[C@@H]1C ZINC000050563944 524217391 /nfs/dbraw/zinc/21/73/91/524217391.db2.gz QPJVUZLYGCCZSY-HUUCEWRRSA-N 1 1 252.446 3.549 10 0 CHAEMO Cc1cccc(CN(C)[C@H](C)CC[NH2+]C(C)(C)C)c1 ZINC000052346075 524379754 /nfs/dbraw/zinc/37/97/54/524379754.db2.gz VUWUIGCHZGGZJI-OAHLLOKOSA-N 1 1 262.441 3.594 10 0 CHAEMO Cc1ccc(CN(C)[C@@H](C)CC[NH2+]C(C)(C)C)cc1 ZINC000052424784 524398955 /nfs/dbraw/zinc/39/89/55/524398955.db2.gz BHRGXFRCGWJTIA-HNNXBMFYSA-N 1 1 262.441 3.594 10 0 CHAEMO Cc1ccccc1CN(C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052547160 525129644 /nfs/dbraw/zinc/12/96/44/525129644.db2.gz UZVMWWBEDYKJMC-OAHLLOKOSA-N 1 1 262.441 3.594 10 0 CHAEMO C[C@]([NH3+])(c1nc2cc(Cl)ccc2o1)c1ccccc1 ZINC000052879501 525149870 /nfs/dbraw/zinc/14/98/70/525149870.db2.gz CWQDMNDARBINFB-OAHLLOKOSA-N 1 1 272.735 3.703 10 0 CHAEMO Cc1cc([C@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)c(C)o1 ZINC000054601209 525501752 /nfs/dbraw/zinc/50/17/52/525501752.db2.gz NKWVDPKTTNVZTK-FPMFFAJLSA-N 1 1 261.365 3.543 10 0 CHAEMO Cc1cc([C@H](C)[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)c(C)o1 ZINC000054601209 525501760 /nfs/dbraw/zinc/50/17/60/525501760.db2.gz NKWVDPKTTNVZTK-FPMFFAJLSA-N 1 1 261.365 3.543 10 0 CHAEMO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613609 525681171 /nfs/dbraw/zinc/68/11/71/525681171.db2.gz WIHVFBGDRBENQU-CHWSQXEVSA-N 1 1 298.390 3.659 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000036960083 525743706 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C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000252212754 334377105 /nfs/dbraw/zinc/37/71/05/334377105.db2.gz YNCOSWVPXLTNBB-UGFHNGPFSA-N 1 1 269.344 3.626 10 0 CHAEMO CC(C)(C)c1ccc(CN2CCC[NH2+]C(C)(C)C2)cc1 ZINC000062668338 519026861 /nfs/dbraw/zinc/02/68/61/519026861.db2.gz SNXIDHVVMIDAHB-UHFFFAOYSA-N 1 1 274.452 3.558 10 0 CHAEMO CCCC1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000050893074 519902639 /nfs/dbraw/zinc/90/26/39/519902639.db2.gz DTFZFWMNTPMADC-AWEZNQCLSA-N 1 1 266.454 3.568 10 0 CHAEMO CCCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705181 520182781 /nfs/dbraw/zinc/18/27/81/520182781.db2.gz WUHMETUWVZSXFT-OALUTQOASA-N 1 1 288.479 3.718 10 0 CHAEMO CCCCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062705181 520182789 /nfs/dbraw/zinc/18/27/89/520182789.db2.gz WUHMETUWVZSXFT-OALUTQOASA-N 1 1 288.479 3.718 10 0 CHAEMO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1cscn1 ZINC000130157777 520415780 /nfs/dbraw/zinc/41/57/80/520415780.db2.gz MIAFYDNSGCOYIN-OAHLLOKOSA-N 1 1 272.417 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ZINC000065286070 567875978 /nfs/dbraw/zinc/87/59/78/567875978.db2.gz XUJMAZHPRRHSDW-HNNXBMFYSA-N 1 1 285.391 3.982 10 0 CHAEMO CC[N@@H+](CCCCCn1cccn1)C1CCCCC1 ZINC000104667091 1118235316 /nfs/dbraw/zinc/23/53/16/1118235316.db2.gz HSVSYDGFRMHMPM-UHFFFAOYSA-N 1 1 263.429 3.708 10 0 CHAEMO COc1c(C)cc(C[N@@H+](C)Cc2cnc(C)s2)cc1C ZINC000101566113 1119660483 /nfs/dbraw/zinc/66/04/83/1119660483.db2.gz OFRHWYWMRQDUIB-UHFFFAOYSA-N 1 1 290.432 3.709 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726372 1119712995 /nfs/dbraw/zinc/71/29/95/1119712995.db2.gz JTHOAFLAKBGPFC-ZDUSSCGKSA-N 1 1 273.380 3.776 10 0 CHAEMO O[C@@H](C[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1Cl ZINC000102927629 1122958961 /nfs/dbraw/zinc/95/89/61/1122958961.db2.gz GPBWKPCGXUVUIK-CVEARBPZSA-N 1 1 279.811 3.638 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)c1 ZINC000171529215 335068968 /nfs/dbraw/zinc/06/89/68/335068968.db2.gz RSPBFPPKZXJIAM-INIZCTEOSA-N 1 1 289.448 3.707 10 0 CHAEMO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(C)(C)CC1 ZINC000061818354 522649832 /nfs/dbraw/zinc/64/98/32/522649832.db2.gz RARGXZLIJZWFIY-HIFRSBDPSA-N 1 1 280.481 3.957 10 0 CHAEMO CCC[N@@H+](CCc1ccccc1)CCc1cccc(O)c1 ZINC000005833398 170145356 /nfs/dbraw/zinc/14/53/56/170145356.db2.gz QUZUPTMNMJTYGL-UHFFFAOYSA-N 1 1 283.415 3.889 10 0 CHAEMO Cc1ccc([C@H](CN)[N@H+](C)C2CCCCC2)c(C)c1 ZINC000020081727 170986030 /nfs/dbraw/zinc/98/60/30/170986030.db2.gz QWSNCPJDHOGUHF-KRWDZBQOSA-N 1 1 260.425 3.568 10 0 CHAEMO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129349 171017164 /nfs/dbraw/zinc/01/71/64/171017164.db2.gz CTMBNTJVHVHCCU-ZFWWWQNUSA-N 1 1 274.433 3.702 10 0 CHAEMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cc1 ZINC000020129358 171017379 /nfs/dbraw/zinc/01/73/79/171017379.db2.gz PLJNDDORYZAITQ-KDOFPFPSSA-N 1 1 286.394 3.779 10 0 CHAEMO Fc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1F ZINC000020135957 171023334 /nfs/dbraw/zinc/02/33/34/171023334.db2.gz BHKJPUSQDMBTDZ-UHFFFAOYSA-N 1 1 290.338 3.864 10 0 CHAEMO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccncc1 ZINC000020136137 171023791 /nfs/dbraw/zinc/02/37/91/171023791.db2.gz FQNIAFALSZWXGX-NSHDSACASA-N 1 1 269.373 3.542 10 0 CHAEMO CCOc1ccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020226256 171091798 /nfs/dbraw/zinc/09/17/98/171091798.db2.gz RZOJSLJENHCKIX-GOSISDBHSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1ccc([C@@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020226256 171091801 /nfs/dbraw/zinc/09/18/01/171091801.db2.gz RZOJSLJENHCKIX-GOSISDBHSA-N 1 1 290.451 3.597 10 0 CHAEMO COc1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1F ZINC000020369199 171166990 /nfs/dbraw/zinc/16/69/90/171166990.db2.gz JCHQUUUNLJRPEH-INIZCTEOSA-N 1 1 271.291 3.629 10 0 CHAEMO CC(C)Oc1ccc([C@@H]([NH3+])CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020553214 171248840 /nfs/dbraw/zinc/24/88/40/171248840.db2.gz HKIMEISSRDVBIU-MPGHIAIKSA-N 1 1 290.451 3.737 10 0 CHAEMO Cc1cc(F)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595916 171264676 /nfs/dbraw/zinc/26/46/76/171264676.db2.gz JGADQEDISXQSOL-KRWDZBQOSA-N 1 1 284.378 3.821 10 0 CHAEMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000020595759 171264704 /nfs/dbraw/zinc/26/47/04/171264704.db2.gz BZQNELLAFKHXQM-SFHVURJKSA-N 1 1 280.415 3.990 10 0 CHAEMO CC[NH+](CC)CCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000021027424 171291361 /nfs/dbraw/zinc/29/13/61/171291361.db2.gz XTTNPAFMIWCEKC-OAHLLOKOSA-N 1 1 262.441 3.802 10 0 CHAEMO CC[NH+](CC)CCN[C@H](C)c1c(C)cc(C)cc1C ZINC000021513475 171311411 /nfs/dbraw/zinc/31/14/11/171311411.db2.gz BEPHFUSCAGIFFA-MRXNPFEDSA-N 1 1 262.441 3.604 10 0 CHAEMO CCCC[N@@H+](C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000021805929 171327513 /nfs/dbraw/zinc/32/75/13/171327513.db2.gz PJMYSKKNBDMNKX-SOUVJXGZSA-N 1 1 254.462 3.651 10 0 CHAEMO CCCCN(C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000021805929 171327514 /nfs/dbraw/zinc/32/75/14/171327514.db2.gz PJMYSKKNBDMNKX-SOUVJXGZSA-N 1 1 254.462 3.651 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+]1CCc2ccccc2C1 ZINC000021814385 171331640 /nfs/dbraw/zinc/33/16/40/171331640.db2.gz HSSWDHIDKXJORU-CRAIPNDOSA-N 1 1 274.452 3.588 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@H+]1CCc2ccccc2C1 ZINC000021814385 171331641 /nfs/dbraw/zinc/33/16/41/171331641.db2.gz HSSWDHIDKXJORU-CRAIPNDOSA-N 1 1 274.452 3.588 10 0 CHAEMO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C(C)C)CN1 ZINC000021986734 171345715 /nfs/dbraw/zinc/34/57/15/171345715.db2.gz NQWRSIHHMWCWNV-QZTJIDSGSA-N 1 1 274.452 3.531 10 0 CHAEMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C(C)C)CN1 ZINC000021986734 171345717 /nfs/dbraw/zinc/34/57/17/171345717.db2.gz NQWRSIHHMWCWNV-QZTJIDSGSA-N 1 1 274.452 3.531 10 0 CHAEMO CCC1CCC(CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000035176679 172029503 /nfs/dbraw/zinc/02/95/03/172029503.db2.gz VTPRNMKMRGPVNK-UHFFFAOYSA-N 1 1 252.446 3.549 10 0 CHAEMO CC(C)c1ccc([C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000035206609 172051171 /nfs/dbraw/zinc/05/11/71/172051171.db2.gz GCZQQVBFVBQVGG-LJQANCHMSA-N 1 1 282.431 3.942 10 0 CHAEMO CC(C)c1ccc([C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000035206609 172051174 /nfs/dbraw/zinc/05/11/74/172051174.db2.gz GCZQQVBFVBQVGG-LJQANCHMSA-N 1 1 282.431 3.942 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@@](CN)([N@H+](C)Cc2cccs2)C1 ZINC000035717213 172371153 /nfs/dbraw/zinc/37/11/53/172371153.db2.gz WGICFRHCUJGLFN-BBRMVZONSA-N 1 1 280.481 3.724 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)Cc2cccs2)C1 ZINC000035717213 172371156 /nfs/dbraw/zinc/37/11/56/172371156.db2.gz WGICFRHCUJGLFN-BBRMVZONSA-N 1 1 280.481 3.724 10 0 CHAEMO C[N@H+](Cc1cccs1)C1(CN)CCCCCCC1 ZINC000035717185 172371487 /nfs/dbraw/zinc/37/14/87/172371487.db2.gz KNDDXNDKUGTVLE-UHFFFAOYSA-N 1 1 266.454 3.622 10 0 CHAEMO C[N@@H+](Cc1cccs1)C1(CN)CCCCCCC1 ZINC000035717185 172371488 /nfs/dbraw/zinc/37/14/88/172371488.db2.gz KNDDXNDKUGTVLE-UHFFFAOYSA-N 1 1 266.454 3.622 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(F)c(F)c1 ZINC000035738857 172392779 /nfs/dbraw/zinc/39/27/79/172392779.db2.gz NYCZWGNTBCYXDK-ZJUUUORDSA-N 1 1 251.276 3.970 10 0 CHAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000037172626 173006592 /nfs/dbraw/zinc/00/65/92/173006592.db2.gz WHTIGWOYEGPSFB-PBHICJAKSA-N 1 1 262.441 3.788 10 0 CHAEMO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000037172626 173006594 /nfs/dbraw/zinc/00/65/94/173006594.db2.gz WHTIGWOYEGPSFB-PBHICJAKSA-N 1 1 262.441 3.788 10 0 CHAEMO CCc1ccc(C(=O)[C@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC000037336416 173137902 /nfs/dbraw/zinc/13/79/02/173137902.db2.gz LWJCPDGGPJQWFU-AWEZNQCLSA-N 1 1 261.409 3.798 10 0 CHAEMO CC[N@@H+]([C@H](C)C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000037337421 173138502 /nfs/dbraw/zinc/13/85/02/173138502.db2.gz LIXPNAKKIYQMFO-GFCCVEGCSA-N 1 1 263.356 3.661 10 0 CHAEMO CCCC[N@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424813 173199314 /nfs/dbraw/zinc/19/93/14/173199314.db2.gz SLZHYEKWLHUPSZ-CYBMUJFWSA-N 1 1 275.223 3.725 10 0 CHAEMO CCCC[N@@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424813 173199317 /nfs/dbraw/zinc/19/93/17/173199317.db2.gz SLZHYEKWLHUPSZ-CYBMUJFWSA-N 1 1 275.223 3.725 10 0 CHAEMO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000038041751 174043704 /nfs/dbraw/zinc/04/37/04/174043704.db2.gz RADDHTBCYBGGPR-SJORKVTESA-N 1 1 274.452 3.768 10 0 CHAEMO CC(C)c1ccc([C@H](CN)[NH+]2CCC(C)CC2)cc1 ZINC000039142599 174164596 /nfs/dbraw/zinc/16/45/96/174164596.db2.gz COHHSDLBASTHGD-KRWDZBQOSA-N 1 1 260.425 3.542 10 0 CHAEMO Cc1ccccc1C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042609227 174822850 /nfs/dbraw/zinc/82/28/50/174822850.db2.gz WNUHCOCGDKVIRR-GOEBONIOSA-N 1 1 259.393 3.688 10 0 CHAEMO CCC(CC)[N@H+](C)[C@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042914208 174912818 /nfs/dbraw/zinc/91/28/18/174912818.db2.gz KZDGKTOLNQKUAH-IAGOWNOFSA-N 1 1 262.441 3.894 10 0 CHAEMO Nc1ccccc1SC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000043959301 175126568 /nfs/dbraw/zinc/12/65/68/175126568.db2.gz MPRLHELMLFULGS-ZFWWWQNUSA-N 1 1 276.449 3.625 10 0 CHAEMO Cc1cc(C)c([C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044113753 175141066 /nfs/dbraw/zinc/14/10/66/175141066.db2.gz KHJDWFABSYDJDC-JKIFEVAISA-N 1 1 275.436 3.623 10 0 CHAEMO Cc1[nH+]ccn1C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000044181116 175151519 /nfs/dbraw/zinc/15/15/19/175151519.db2.gz IKGZRXPCTLSNPT-GOSISDBHSA-N 1 1 278.355 3.592 10 0 CHAEMO C[N@H+]1C[C@H]2CCC[C@@]2(c2ccc3ccccc3c2)C1 ZINC000072112516 176317686 /nfs/dbraw/zinc/31/76/86/176317686.db2.gz QSOVYEIFTQKDEW-MSOLQXFVSA-N 1 1 251.373 3.823 10 0 CHAEMO Cc1n[nH]c2c1[C@H]([NH3+])C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000072415306 176399320 /nfs/dbraw/zinc/39/93/20/176399320.db2.gz VTLNNIHHJQNJLP-HUUCEWRRSA-N 1 1 269.392 3.571 10 0 CHAEMO CCc1cc(N[C@H](C)c2sc(C)nc2C)nc(C)[nH+]1 ZINC000088760217 260234528 /nfs/dbraw/zinc/23/45/28/260234528.db2.gz UFSKXOOGSGKSHI-SECBINFHSA-N 1 1 276.409 3.594 10 0 CHAEMO C[N@H+](Cc1sc2ccccc2c1Cl)CC1CC(O)C1 ZINC000091499116 260266328 /nfs/dbraw/zinc/26/63/28/260266328.db2.gz PRQVSCSZMQLREN-UHFFFAOYSA-N 1 1 295.835 3.757 10 0 CHAEMO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)no1 ZINC000211744676 260310551 /nfs/dbraw/zinc/31/05/51/260310551.db2.gz KOYZWFBJRCVYOW-MEDUHNTESA-N 1 1 256.349 3.711 10 0 CHAEMO C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173647797 261167349 /nfs/dbraw/zinc/16/73/49/261167349.db2.gz UKGJDALPLICUPN-BLLLJJGKSA-N 1 1 289.810 3.972 10 0 CHAEMO COCCCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000103226138 261277770 /nfs/dbraw/zinc/27/77/70/261277770.db2.gz KZOMYPJHXBEKBY-UHFFFAOYSA-N 1 1 255.789 3.589 10 0 CHAEMO CC(C)(C)[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270150 262342605 /nfs/dbraw/zinc/34/26/05/262342605.db2.gz QZBFKIMYTMLBCT-CQCMJFKXSA-N 1 1 289.423 3.583 10 0 CHAEMO C[C@H](c1ccc(Cl)cc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094448219 265243127 /nfs/dbraw/zinc/24/31/27/265243127.db2.gz ITVXQRNLXRCRSO-DGCLKSJQSA-N 1 1 299.245 3.834 10 0 CHAEMO Clc1ncc(C[N@@H+]2C[C@@H]3CCCCC[C@H]32)s1 ZINC000363037927 267073588 /nfs/dbraw/zinc/07/35/88/267073588.db2.gz PYRYKPMMJISWBY-GXSJLCMTSA-N 1 1 256.802 3.561 10 0 CHAEMO Clc1ncc(C[N@H+]2C[C@@H]3CCCCC[C@H]32)s1 ZINC000363037927 267073589 /nfs/dbraw/zinc/07/35/89/267073589.db2.gz PYRYKPMMJISWBY-GXSJLCMTSA-N 1 1 256.802 3.561 10 0 CHAEMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116299072 267137235 /nfs/dbraw/zinc/13/72/35/267137235.db2.gz FKLNMASFUUFUOF-INIZCTEOSA-N 1 1 287.359 3.504 10 0 CHAEMO Cc1nc2c(s1)[C@H]([N@@H+](C)C1CCCC1)CCC2 ZINC000120141271 267387051 /nfs/dbraw/zinc/38/70/51/267387051.db2.gz ZKHNQEHHUATINL-CYBMUJFWSA-N 1 1 250.411 3.703 10 0 CHAEMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000047865991 327113195 /nfs/dbraw/zinc/11/31/95/327113195.db2.gz LGOLXHYUEBTCMN-LLVKDONJSA-N 1 1 285.372 3.649 10 0 CHAEMO CSc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000172272172 329084507 /nfs/dbraw/zinc/08/45/07/329084507.db2.gz ODYUDBVHVXWBPW-INIZCTEOSA-N 1 1 287.432 3.859 10 0 CHAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc(F)c1 ZINC000173989863 329152041 /nfs/dbraw/zinc/15/20/41/329152041.db2.gz OWRVGTWMHJIUDX-GFCCVEGCSA-N 1 1 270.351 3.944 10 0 CHAEMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnn3ccccc23)o1 ZINC000179696172 329211673 /nfs/dbraw/zinc/21/16/73/329211673.db2.gz NNEGVZLJIBANLW-KRWDZBQOSA-N 1 1 295.386 3.963 10 0 CHAEMO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)ccc1Cl ZINC000180429386 329216726 /nfs/dbraw/zinc/21/67/26/329216726.db2.gz AGBKDMXPOZWIME-INIZCTEOSA-N 1 1 289.810 3.719 10 0 CHAEMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000181889467 329238203 /nfs/dbraw/zinc/23/82/03/329238203.db2.gz PYFLXARXERUYBV-CQSZACIVSA-N 1 1 293.407 3.929 10 0 CHAEMO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351613 329274444 /nfs/dbraw/zinc/27/44/44/329274444.db2.gz PXKDPDAPANPWIH-RYUDHWBXSA-N 1 1 272.396 3.648 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000187126050 329353670 /nfs/dbraw/zinc/35/36/70/329353670.db2.gz FLYSTLYNSDMRJB-IBGZPJMESA-N 1 1 297.446 3.679 10 0 CHAEMO CC(C)=CC[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000188440943 329368782 /nfs/dbraw/zinc/36/87/82/329368782.db2.gz CLAJIVIBYNUASD-KRWDZBQOSA-N 1 1 270.351 3.866 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(F)nc2)o1 ZINC000189363338 329380115 /nfs/dbraw/zinc/38/01/15/329380115.db2.gz XOLLSSNRBWGKHA-CQSZACIVSA-N 1 1 274.339 3.849 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccc(F)nc2)o1 ZINC000189363338 329380116 /nfs/dbraw/zinc/38/01/16/329380116.db2.gz XOLLSSNRBWGKHA-CQSZACIVSA-N 1 1 274.339 3.849 10 0 CHAEMO C[C@H]([NH2+][C@H]1CCCN[C@@H]1C)c1cccc2ccccc21 ZINC000396726237 330223825 /nfs/dbraw/zinc/22/38/25/330223825.db2.gz UHZGNTAFIUMKCX-IYOUNJFTSA-N 1 1 268.404 3.631 10 0 CHAEMO Cc1ccc(C)c(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106369988 330337249 /nfs/dbraw/zinc/33/72/49/330337249.db2.gz CZQQJVMDDBRKSI-UHFFFAOYSA-N 1 1 297.446 3.719 10 0 CHAEMO Cc1ccc(C)c(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106369988 330337250 /nfs/dbraw/zinc/33/72/50/330337250.db2.gz CZQQJVMDDBRKSI-UHFFFAOYSA-N 1 1 297.446 3.719 10 0 CHAEMO Cc1cc(C)c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(C)c1 ZINC000250969147 334354097 /nfs/dbraw/zinc/35/40/97/334354097.db2.gz BILJJFQHHGSLRR-HKUYNNGSSA-N 1 1 287.447 3.739 10 0 CHAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000178681370 333076806 /nfs/dbraw/zinc/07/68/06/333076806.db2.gz UXEOVSKMWJJHRN-RDJZCZTQSA-N 1 1 299.462 3.862 10 0 CHAEMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc(Cl)c1F ZINC000187410843 333170549 /nfs/dbraw/zinc/17/05/49/333170549.db2.gz LQXSHPOKIDVROE-ABAIWWIYSA-N 1 1 293.769 3.863 10 0 CHAEMO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1cncc(F)c1 ZINC000225966086 333243872 /nfs/dbraw/zinc/24/38/72/333243872.db2.gz CYCHJIXURMOIRE-SNVBAGLBSA-N 1 1 287.363 3.681 10 0 CHAEMO OCC[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000227575097 333286148 /nfs/dbraw/zinc/28/61/48/333286148.db2.gz KLPCIQVYAAIZRL-NSHDSACASA-N 1 1 295.835 3.759 10 0 CHAEMO C[C@@H]([NH2+][C@@H]1CCOC1)c1c(Cl)ccc(F)c1Cl ZINC000131223999 333910682 /nfs/dbraw/zinc/91/06/82/333910682.db2.gz QSZBMYOXDUIQLK-HTQZYQBOSA-N 1 1 278.154 3.572 10 0 CHAEMO c1ccc2c(c1)-c1ccccc1C2N1CC[N@H+]2CCC[C@H]2C1 ZINC000247341915 334279482 /nfs/dbraw/zinc/27/94/82/334279482.db2.gz XPJTWMGIWZGVHD-HNNXBMFYSA-N 1 1 290.410 3.536 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604754 334308293 /nfs/dbraw/zinc/30/82/93/334308293.db2.gz VZJSEWPTPRLMAP-VQIMIIECSA-N 1 1 297.446 3.535 10 0 CHAEMO Cc1ccc2cc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)ccc2n1 ZINC000249200124 334330113 /nfs/dbraw/zinc/33/01/13/334330113.db2.gz SPACODFRJLEBNE-MOPGFXCFSA-N 1 1 296.414 3.687 10 0 CHAEMO CC(C)C[NH2+]CC[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000062958634 519743954 /nfs/dbraw/zinc/74/39/54/519743954.db2.gz RZOGINQZTDDJBE-MRXNPFEDSA-N 1 1 266.473 3.667 10 0 CHAEMO CCCNc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2C)n1 ZINC000061630530 520164056 /nfs/dbraw/zinc/16/40/56/520164056.db2.gz SFTFVPBAAXRXAX-NSHDSACASA-N 1 1 267.804 3.541 10 0 CHAEMO CC(C)CN(CC(C)C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052484801 519713565 /nfs/dbraw/zinc/71/35/65/519713565.db2.gz TZDJYGWRWKXAOY-MRXNPFEDSA-N 1 1 256.478 3.623 10 0 CHAEMO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000138969936 519763749 /nfs/dbraw/zinc/76/37/49/519763749.db2.gz AAIOJBBRJLBBHR-KBPBESRZSA-N 1 1 287.407 3.856 10 0 CHAEMO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000127741034 519857170 /nfs/dbraw/zinc/85/71/70/519857170.db2.gz MCMPSJYIPFWNMG-GFCCVEGCSA-N 1 1 291.420 3.634 10 0 CHAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000127741034 519857172 /nfs/dbraw/zinc/85/71/72/519857172.db2.gz MCMPSJYIPFWNMG-GFCCVEGCSA-N 1 1 291.420 3.634 10 0 CHAEMO CCCNc1ccc(Cl)c(C[N@H+]2CCC[C@H]2C)n1 ZINC000061630531 520163120 /nfs/dbraw/zinc/16/31/20/520163120.db2.gz SFTFVPBAAXRXAX-LLVKDONJSA-N 1 1 267.804 3.541 10 0 CHAEMO CCNc1c(C)c(C)[nH+]c2c(OC(F)F)cccc12 ZINC000050870833 520255345 /nfs/dbraw/zinc/25/53/45/520255345.db2.gz DOSJBRYJNNPGNZ-UHFFFAOYSA-N 1 1 266.291 3.885 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@@H+](C)[C@H](C)C(C)C)n1 ZINC000061631335 520309927 /nfs/dbraw/zinc/30/99/27/520309927.db2.gz VSLWXINWIWONLE-LLVKDONJSA-N 1 1 269.820 3.643 10 0 CHAEMO CCN(CC)c1ncc(C[NH2+][C@H](C)c2ccc(C)o2)s1 ZINC000037280521 520932520 /nfs/dbraw/zinc/93/25/20/520932520.db2.gz GYLZKGXNGWFVRJ-GFCCVEGCSA-N 1 1 293.436 3.742 10 0 CHAEMO CCC[NH+](CCC)[C@@H](CNC1CC1)c1ccccc1 ZINC000052416897 521649973 /nfs/dbraw/zinc/64/99/73/521649973.db2.gz KRVZNMWDQLQEET-KRWDZBQOSA-N 1 1 260.425 3.602 10 0 CHAEMO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCC(C)(C)CC1 ZINC000061818353 522339714 /nfs/dbraw/zinc/33/97/14/522339714.db2.gz RARGXZLIJZWFIY-ZFWWWQNUSA-N 1 1 280.481 3.957 10 0 CHAEMO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000037772153 522414457 /nfs/dbraw/zinc/41/44/57/522414457.db2.gz PEXHRIOQTWJMBU-ZDUSSCGKSA-N 1 1 287.359 3.534 10 0 CHAEMO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000068695220 523323409 /nfs/dbraw/zinc/32/34/09/523323409.db2.gz AQCQJADTAWDONU-ZWKOTPCHSA-N 1 1 274.452 3.512 10 0 CHAEMO CC[C@H]1CN[C@@H](C(C)C)C[N@H+]1Cc1ccc(C)c(C)c1 ZINC000068695220 523323414 /nfs/dbraw/zinc/32/34/14/523323414.db2.gz AQCQJADTAWDONU-ZWKOTPCHSA-N 1 1 274.452 3.512 10 0 CHAEMO CCc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000051722726 523944989 /nfs/dbraw/zinc/94/49/89/523944989.db2.gz WUAOPXRHKMHQER-JTQLQIEISA-N 1 1 265.303 3.971 10 0 CHAEMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)no1 ZINC000044296247 524765318 /nfs/dbraw/zinc/76/53/18/524765318.db2.gz SEGUEKUDKMAFIH-ZDUSSCGKSA-N 1 1 258.365 3.957 10 0 CHAEMO Cc1cc(F)ccc1[C@@H](CN)[N@H+](C)[C@@H](C)CC(C)C ZINC000050579087 525001766 /nfs/dbraw/zinc/00/17/66/525001766.db2.gz DEHOEOGBVSZYPU-XJKSGUPXSA-N 1 1 266.404 3.500 10 0 CHAEMO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)[C@@H](C)CC(C)C ZINC000050579087 525001779 /nfs/dbraw/zinc/00/17/79/525001779.db2.gz DEHOEOGBVSZYPU-XJKSGUPXSA-N 1 1 266.404 3.500 10 0 CHAEMO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743518 525626313 /nfs/dbraw/zinc/62/63/13/525626313.db2.gz ANHIZAPXDDOFRP-NHYWBVRUSA-N 1 1 288.778 3.909 10 0 CHAEMO C[C@H](Nc1ccc(N)c[nH+]1)c1cccc(Br)c1 ZINC000049564129 525655547 /nfs/dbraw/zinc/65/55/47/525655547.db2.gz NFYYISWKOGCQDA-VIFPVBQESA-N 1 1 292.180 3.599 10 0 CHAEMO C[C@H](c1ccccc1)[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062671254 526099956 /nfs/dbraw/zinc/09/99/56/526099956.db2.gz YQDOJERAAFEZFD-APWZRJJASA-N 1 1 280.415 3.784 10 0 CHAEMO Cc1[nH+]c2cc(N)ccc2n1-c1cc(C)ccc1C ZINC000052842782 527122056 /nfs/dbraw/zinc/12/20/56/527122056.db2.gz YVTUQTUJFYSMLE-UHFFFAOYSA-N 1 1 251.333 3.533 10 0 CHAEMO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000253097417 527670588 /nfs/dbraw/zinc/67/05/88/527670588.db2.gz ROZNZZNGAMKCRC-CDFAJYJUSA-N 1 1 285.431 3.715 10 0 CHAEMO Clc1sccc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397160443 570290116 /nfs/dbraw/zinc/29/01/16/570290116.db2.gz SYWGSFZKURFMEX-SNVBAGLBSA-N 1 1 255.795 3.698 10 0 CHAEMO C[C@H](c1ccncn1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000215827168 570304277 /nfs/dbraw/zinc/30/42/77/570304277.db2.gz OOZYBCIVFCJCBF-LLVKDONJSA-N 1 1 295.308 3.688 10 0 CHAEMO C[C@H](c1ccncn1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000215827168 570304278 /nfs/dbraw/zinc/30/42/78/570304278.db2.gz OOZYBCIVFCJCBF-LLVKDONJSA-N 1 1 295.308 3.688 10 0 CHAEMO CCc1nc(C[NH2+]Cc2ccccc2)sc1CC ZINC000669382921 570352927 /nfs/dbraw/zinc/35/29/27/570352927.db2.gz NTGKZAHSGBBCAC-UHFFFAOYSA-N 1 1 260.406 3.558 10 0 CHAEMO CC(C)[N@@H+](CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000102768783 1118208668 /nfs/dbraw/zinc/20/86/68/1118208668.db2.gz ROPINEGOENQQDO-UHFFFAOYSA-N 1 1 292.398 3.807 10 0 CHAEMO C[C@H]([NH2+]C/C(Cl)=C\Cl)c1ccccc1-n1cccn1 ZINC000588382571 1118480777 /nfs/dbraw/zinc/48/07/77/1118480777.db2.gz PGPIHYNYQPWFCP-UTEVDWOZSA-N 1 1 296.201 3.842 10 0 CHAEMO CCCCc1[nH+]c(-c2ccccc2)n(CCC)c1N ZINC000103502574 185846509 /nfs/dbraw/zinc/84/65/09/185846509.db2.gz VFNNRAZKYUBXEW-UHFFFAOYSA-N 1 1 257.381 3.885 10 0 CHAEMO Cc1cccn2c(N)c(-c3ccccc3Cl)[nH+]c12 ZINC000104346024 185977761 /nfs/dbraw/zinc/97/77/61/185977761.db2.gz DBIQWRGGCJUUGB-UHFFFAOYSA-N 1 1 257.724 3.545 10 0 CHAEMO CCc1nc(N[C@@H](C)c2ccc(C)c(F)c2)cc(C)[nH+]1 ZINC000312414459 260008064 /nfs/dbraw/zinc/00/80/64/260008064.db2.gz XMBDURWMMNQCML-LBPRGKRZSA-N 1 1 273.355 3.968 10 0 CHAEMO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccc(Br)cc1 ZINC000006253368 170185609 /nfs/dbraw/zinc/18/56/09/170185609.db2.gz FZMYIBQTIUEEMT-NSHDSACASA-N 1 1 296.208 3.506 10 0 CHAEMO C[C@H]1CCCC[N@H+]1CC(=O)c1ccc(Br)cc1 ZINC000006253368 170185610 /nfs/dbraw/zinc/18/56/10/170185610.db2.gz FZMYIBQTIUEEMT-NSHDSACASA-N 1 1 296.208 3.506 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)c2ccc(Cl)cc2)C1 ZINC000009997489 170394493 /nfs/dbraw/zinc/39/44/93/170394493.db2.gz JSIPRAGSJLDYGQ-TXEJJXNPSA-N 1 1 265.784 3.501 10 0 CHAEMO C[NH+](C)C[C@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000020129377 171016864 /nfs/dbraw/zinc/01/68/64/171016864.db2.gz LYZGRXOZMSWMMN-OALUTQOASA-N 1 1 280.415 3.566 10 0 CHAEMO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccncc1 ZINC000020136134 171024154 /nfs/dbraw/zinc/02/41/54/171024154.db2.gz FQNIAFALSZWXGX-LLVKDONJSA-N 1 1 269.373 3.542 10 0 CHAEMO CSc1ccc([C@@H](C)NC[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000020145885 171031752 /nfs/dbraw/zinc/03/17/52/171031752.db2.gz NBCQWWKQMMWASR-CJNGLKHVSA-N 1 1 280.481 3.645 10 0 CHAEMO C[N@@H+](CC1CCCCC1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020226034 171089639 /nfs/dbraw/zinc/08/96/39/171089639.db2.gz UTHCHGCVCOTXQR-INIZCTEOSA-N 1 1 280.843 3.852 10 0 CHAEMO CN(CC1CCCCC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226034 171089641 /nfs/dbraw/zinc/08/96/41/171089641.db2.gz UTHCHGCVCOTXQR-INIZCTEOSA-N 1 1 280.843 3.852 10 0 CHAEMO Cc1ccc2oc([C@@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389375 171178397 /nfs/dbraw/zinc/17/83/97/171178397.db2.gz MPKKTKPMPLXTKG-INIZCTEOSA-N 1 1 255.292 3.928 10 0 CHAEMO CCCC[N@@H+](CC)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000020558732 171250972 /nfs/dbraw/zinc/25/09/72/171250972.db2.gz SLSQGROARLYBHV-CQSZACIVSA-N 1 1 288.357 3.827 10 0 CHAEMO CCCCN(CC)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020558732 171250973 /nfs/dbraw/zinc/25/09/73/171250973.db2.gz SLSQGROARLYBHV-CQSZACIVSA-N 1 1 288.357 3.827 10 0 CHAEMO CC(C)N(CC[NH2+][C@@H]1CCCc2ccccc21)C(C)C ZINC000020561749 171252471 /nfs/dbraw/zinc/25/24/71/171252471.db2.gz WRXYGQQPGZBHMD-GOSISDBHSA-N 1 1 274.452 3.772 10 0 CHAEMO COc1ccc(C)cc1[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000020592730 171262178 /nfs/dbraw/zinc/26/21/78/171262178.db2.gz XUWFZTPPURIFCB-QGZVFWFLSA-N 1 1 267.328 3.798 10 0 CHAEMO CCCc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021027329 171291170 /nfs/dbraw/zinc/29/11/70/171291170.db2.gz BAKFSGPULGKDPP-RVKKMQEKSA-N 1 1 274.452 3.902 10 0 CHAEMO CC(C)Cc1ccc([C@H](N)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021039982 171293307 /nfs/dbraw/zinc/29/33/07/171293307.db2.gz UXHUXTYNWAXOAI-JTDSTZFVSA-N 1 1 288.479 3.863 10 0 CHAEMO CCCc1ccc([C@@H]([NH3+])CN2CCCCCC2)cc1 ZINC000021057483 171295977 /nfs/dbraw/zinc/29/59/77/171295977.db2.gz MFIZFHVBKFCORA-KRWDZBQOSA-N 1 1 260.425 3.515 10 0 CHAEMO CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)N(C)C ZINC000021793842 171324628 /nfs/dbraw/zinc/32/46/28/171324628.db2.gz WJKOOXVWBISNRU-AWEZNQCLSA-N 1 1 289.250 3.669 10 0 CHAEMO CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)N(C)C ZINC000021793838 171324832 /nfs/dbraw/zinc/32/48/32/171324832.db2.gz WJKOOXVWBISNRU-CQSZACIVSA-N 1 1 289.250 3.669 10 0 CHAEMO C[C@H]1CCCC[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000021812233 171329811 /nfs/dbraw/zinc/32/98/11/171329811.db2.gz ZETGRTJIZYRIIM-WMZOPIPTSA-N 1 1 274.452 3.677 10 0 CHAEMO CCCC[N@@H+](CC)[C@@H](CN)c1c(C)cc(C)cc1C ZINC000022150058 171358295 /nfs/dbraw/zinc/35/82/95/171358295.db2.gz NPRYEGVBSAOVDD-INIZCTEOSA-N 1 1 262.441 3.734 10 0 CHAEMO CCCCN(CC)[C@@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000022150058 171358296 /nfs/dbraw/zinc/35/82/96/171358296.db2.gz NPRYEGVBSAOVDD-INIZCTEOSA-N 1 1 262.441 3.734 10 0 CHAEMO Cc1ccc(C(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000035037579 171943890 /nfs/dbraw/zinc/94/38/90/171943890.db2.gz QFJUQECFVYMIGO-NVXWUHKLSA-N 1 1 271.404 3.690 10 0 CHAEMO COC(=O)c1occc1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000035223059 172066886 /nfs/dbraw/zinc/06/68/86/172066886.db2.gz PDBDKXZWJCLAED-ZDUSSCGKSA-N 1 1 287.359 3.534 10 0 CHAEMO CC[NH2+][C@H](c1ccc(C)o1)c1cc(F)ccc1F ZINC000035543380 172250978 /nfs/dbraw/zinc/25/09/78/172250978.db2.gz GOLGVMJROFYRJS-AWEZNQCLSA-N 1 1 251.276 3.565 10 0 CHAEMO CC[NH2+][C@H](c1ccccc1F)c1cc(F)ccc1F ZINC000035543686 172251525 /nfs/dbraw/zinc/25/15/25/172251525.db2.gz AQQJSMFLULBKDL-OAHLLOKOSA-N 1 1 265.278 3.803 10 0 CHAEMO CCC[N@@H+](CC(=O)c1c(C)cc(C)cc1C)C(C)C ZINC000037335215 173136964 /nfs/dbraw/zinc/13/69/64/173136964.db2.gz YVQVQNHVPMAYEI-UHFFFAOYSA-N 1 1 261.409 3.915 10 0 CHAEMO CC[C@@H](C)C[N@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037337102 173137242 /nfs/dbraw/zinc/13/72/42/173137242.db2.gz XSQOMCDPKDUQGB-GFCCVEGCSA-N 1 1 259.349 3.593 10 0 CHAEMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037337102 173137243 /nfs/dbraw/zinc/13/72/43/173137243.db2.gz XSQOMCDPKDUQGB-GFCCVEGCSA-N 1 1 259.349 3.593 10 0 CHAEMO CC[C@@H](C)[N@@H+](CC)CC(=O)c1c(C)cc(C)cc1C ZINC000037336712 173137411 /nfs/dbraw/zinc/13/74/11/173137411.db2.gz ZJFCFYAXOGKZDU-OAHLLOKOSA-N 1 1 261.409 3.915 10 0 CHAEMO CC[N@H+](CC(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000037414985 173191910 /nfs/dbraw/zinc/19/19/10/173191910.db2.gz DTGQOBYKVKLQGW-UHFFFAOYSA-N 1 1 274.191 3.906 10 0 CHAEMO CC[N@@H+](CC(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000037414985 173191912 /nfs/dbraw/zinc/19/19/12/173191912.db2.gz DTGQOBYKVKLQGW-UHFFFAOYSA-N 1 1 274.191 3.906 10 0 CHAEMO CC[N@H+](C(C)C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424863 173199093 /nfs/dbraw/zinc/19/90/93/173199093.db2.gz NFBMIRWYJNWNHA-ZDUSSCGKSA-N 1 1 275.223 3.724 10 0 CHAEMO CC[N@@H+](C(C)C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424863 173199094 /nfs/dbraw/zinc/19/90/94/173199094.db2.gz NFBMIRWYJNWNHA-ZDUSSCGKSA-N 1 1 275.223 3.724 10 0 CHAEMO CC[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccccc1OC ZINC000038028977 174018684 /nfs/dbraw/zinc/01/86/84/174018684.db2.gz ZEOCCVYTOXEEPD-DOTOQJQBSA-N 1 1 290.451 3.610 10 0 CHAEMO C[C@@H](CNCc1sc2ccccc2c1Cl)[NH+](C)C ZINC000038087325 174098690 /nfs/dbraw/zinc/09/86/90/174098690.db2.gz UAWCOQWYNXYKHQ-JTQLQIEISA-N 1 1 282.840 3.594 10 0 CHAEMO Cc1nc(C)c([C@H](C)Nc2[nH]c3ccccc3[nH+]2)s1 ZINC000040518941 174308862 /nfs/dbraw/zinc/30/88/62/174308862.db2.gz NHLQWPCLQBNFJZ-VIFPVBQESA-N 1 1 272.377 3.809 10 0 CHAEMO CC(C)C[C@@H](C)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000042586529 174809033 /nfs/dbraw/zinc/80/90/33/174809033.db2.gz HQDXORKNPJXZSQ-CYBMUJFWSA-N 1 1 265.372 3.765 10 0 CHAEMO C[C@@H]([NH2+]Cc1sccc1Br)c1ccncc1 ZINC000043674938 175088367 /nfs/dbraw/zinc/08/83/67/175088367.db2.gz KAPOWIDIJUYSEF-SECBINFHSA-N 1 1 297.221 3.756 10 0 CHAEMO Cc1cc(Nc2ccccc2)nc(NCc2ccccn2)[nH+]1 ZINC000045339654 175361229 /nfs/dbraw/zinc/36/12/29/175361229.db2.gz FHFLPMVCAWECFF-UHFFFAOYSA-N 1 1 291.358 3.536 10 0 CHAEMO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114201321 228112669 /nfs/dbraw/zinc/11/26/69/228112669.db2.gz DLBFRBHFOFWPMY-HNNXBMFYSA-N 1 1 275.783 3.790 10 0 CHAEMO Clc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114201321 228112671 /nfs/dbraw/zinc/11/26/71/228112671.db2.gz DLBFRBHFOFWPMY-HNNXBMFYSA-N 1 1 275.783 3.790 10 0 CHAEMO Fc1cc(C[NH2+][C@H]2COc3ccccc32)ccc1Cl ZINC000070070158 260151427 /nfs/dbraw/zinc/15/14/27/260151427.db2.gz AHLHWZWLJDFFNM-AWEZNQCLSA-N 1 1 277.726 3.702 10 0 CHAEMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc3c2NCC3)C1 ZINC000130512181 260396171 /nfs/dbraw/zinc/39/61/71/260396171.db2.gz FZKCPKJMWBNAER-CJNGLKHVSA-N 1 1 258.409 3.665 10 0 CHAEMO Cc1ccccc1CCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000175902396 261252063 /nfs/dbraw/zinc/25/20/63/261252063.db2.gz CWLZNTYKHUTAHA-UHFFFAOYSA-N 1 1 283.419 3.530 10 0 CHAEMO CCCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105852086 261317114 /nfs/dbraw/zinc/31/71/14/261317114.db2.gz SCOVOKGRDAJNTK-HNNXBMFYSA-N 1 1 291.439 3.579 10 0 CHAEMO Cc1oncc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000189440749 264297821 /nfs/dbraw/zinc/29/78/21/264297821.db2.gz DRQPQUXSLQVVQE-SSDOTTSWSA-N 1 1 256.758 3.549 10 0 CHAEMO Cc1nccn1CCCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000118993081 267284384 /nfs/dbraw/zinc/28/43/84/267284384.db2.gz VDGXEPMPNHDUOR-UHFFFAOYSA-N 1 1 295.430 3.761 10 0 CHAEMO CCc1ccc([C@H](C)NCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000049856244 328380301 /nfs/dbraw/zinc/38/03/01/328380301.db2.gz LQWZTHQSZSBDBZ-MAUKXSAKSA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@H](C)NCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000049856244 328380302 /nfs/dbraw/zinc/38/03/02/328380302.db2.gz LQWZTHQSZSBDBZ-MAUKXSAKSA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000049856244 328380304 /nfs/dbraw/zinc/38/03/04/328380304.db2.gz LQWZTHQSZSBDBZ-MAUKXSAKSA-N 1 1 274.452 3.774 10 0 CHAEMO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000049856216 328380351 /nfs/dbraw/zinc/38/03/51/328380351.db2.gz CXKZMWZXURBDKU-XJKSGUPXSA-N 1 1 280.843 3.865 10 0 CHAEMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1cccc(Cl)c1 ZINC000049856216 328380352 /nfs/dbraw/zinc/38/03/52/328380352.db2.gz CXKZMWZXURBDKU-XJKSGUPXSA-N 1 1 280.843 3.865 10 0 CHAEMO Cc1ccccc1[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000192854340 328812729 /nfs/dbraw/zinc/81/27/29/328812729.db2.gz MVFGPFCRUGDZAK-AWEZNQCLSA-N 1 1 293.370 3.896 10 0 CHAEMO C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc(F)c1 ZINC000173989850 329152049 /nfs/dbraw/zinc/15/20/49/329152049.db2.gz OWRVGTWMHJIUDX-LBPRGKRZSA-N 1 1 270.351 3.944 10 0 CHAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179986180 329214245 /nfs/dbraw/zinc/21/42/45/329214245.db2.gz CCNRBBIIASXSON-HUUCEWRRSA-N 1 1 290.455 3.578 10 0 CHAEMO CCC[C@H](C)C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179986193 329214326 /nfs/dbraw/zinc/21/43/26/329214326.db2.gz CCNRBBIIASXSON-LSDHHAIUSA-N 1 1 290.455 3.578 10 0 CHAEMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c(C(C)(C)C)n1 ZINC000180193657 329218321 /nfs/dbraw/zinc/21/83/21/329218321.db2.gz SAHKBLMRBHEWBV-CQSZACIVSA-N 1 1 287.407 3.648 10 0 CHAEMO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000130774819 329627834 /nfs/dbraw/zinc/62/78/34/329627834.db2.gz AKMLLRFNLPKRSA-CABCVRRESA-N 1 1 298.434 3.643 10 0 CHAEMO CC[C@H]([NH2+][C@@H]1CCCN[C@H]1C)c1ccc(Cl)cc1 ZINC000396715219 330224398 /nfs/dbraw/zinc/22/43/98/330224398.db2.gz RBOHUFNVNFINDO-TUKIKUTGSA-N 1 1 266.816 3.521 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)c1 ZINC000106221238 330333809 /nfs/dbraw/zinc/33/38/09/330333809.db2.gz JVFIFNNMFGURMR-IEBWSBKVSA-N 1 1 295.430 3.906 10 0 CHAEMO CC(C)(C)c1ccc(CN2CCCC[C@@H]2CC[NH3+])s1 ZINC000166174266 331306689 /nfs/dbraw/zinc/30/66/89/331306689.db2.gz MSADWQSDGLRFJH-CYBMUJFWSA-N 1 1 280.481 3.749 10 0 CHAEMO C[C@H]1C[C@H]1Nc1cc[nH+]c2c(Br)cccc12 ZINC000309794771 333049652 /nfs/dbraw/zinc/04/96/52/333049652.db2.gz PWYHMSCKTWJHPK-QPUJVOFHSA-N 1 1 277.165 3.818 10 0 CHAEMO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2c(Br)cccc12 ZINC000309794767 333049749 /nfs/dbraw/zinc/04/97/49/333049749.db2.gz PWYHMSCKTWJHPK-PELKAZGASA-N 1 1 277.165 3.818 10 0 CHAEMO c1ccc2c(c1)-c1ccccc1C2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177982093 333066332 /nfs/dbraw/zinc/06/63/32/333066332.db2.gz XPJTWMGIWZGVHD-OAHLLOKOSA-N 1 1 290.410 3.536 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331740 333071152 /nfs/dbraw/zinc/07/11/52/333071152.db2.gz UCSOVEJYWLKGAN-PKOBYXMFSA-N 1 1 295.430 3.734 10 0 CHAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000178681383 333076793 /nfs/dbraw/zinc/07/67/93/333076793.db2.gz UXEOVSKMWJJHRN-DOTOQJQBSA-N 1 1 299.462 3.862 10 0 CHAEMO CCc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000189215867 333186232 /nfs/dbraw/zinc/18/62/32/333186232.db2.gz HRDGFIGFYFRLJA-SFHVURJKSA-N 1 1 297.446 3.936 10 0 CHAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1cccc(F)c1F ZINC000224983951 333228297 /nfs/dbraw/zinc/22/82/97/333228297.db2.gz GCEKWJGGOLWWGW-STQMWFEESA-N 1 1 284.394 3.592 10 0 CHAEMO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2C)o1 ZINC000227556150 333285571 /nfs/dbraw/zinc/28/55/71/333285571.db2.gz FJQJXDVFQTVKCG-AWEZNQCLSA-N 1 1 258.365 3.759 10 0 CHAEMO C[C@H](c1ccccc1)[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230003312 333312367 /nfs/dbraw/zinc/31/23/67/333312367.db2.gz OCHRXKDKDSHCKJ-MRXNPFEDSA-N 1 1 268.404 3.599 10 0 CHAEMO C[C@H](c1ccccc1)N(CCC[NH3+])Cc1ccccc1 ZINC000230003312 333312368 /nfs/dbraw/zinc/31/23/68/333312368.db2.gz OCHRXKDKDSHCKJ-MRXNPFEDSA-N 1 1 268.404 3.599 10 0 CHAEMO C[C@@H]([NH2+][C@H]1CCOC1)c1c(Cl)ccc(F)c1Cl ZINC000131224408 333910688 /nfs/dbraw/zinc/91/06/88/333910688.db2.gz QSZBMYOXDUIQLK-SFYZADRCSA-N 1 1 278.154 3.572 10 0 CHAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000246138723 334236038 /nfs/dbraw/zinc/23/60/38/334236038.db2.gz NJFMGKZONQSLSR-SJORKVTESA-N 1 1 295.430 3.885 10 0 CHAEMO Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247990471 334292915 /nfs/dbraw/zinc/29/29/15/334292915.db2.gz JIRLBZUEYUNEGE-SZMVWBNQSA-N 1 1 273.420 3.683 10 0 CHAEMO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000251344781 334360140 /nfs/dbraw/zinc/36/01/40/334360140.db2.gz QWVJWOADHIHMLN-ABAIWWIYSA-N 1 1 286.822 3.845 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1[C@H]1C=CCCCCC1 ZINC000383499403 336111118 /nfs/dbraw/zinc/11/11/18/336111118.db2.gz ZMYJGFCJGAZNSI-BSDSXHPESA-N 1 1 277.452 3.891 10 0 CHAEMO CC(C)[NH2+]C[C@H](C(C)C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482190 519724216 /nfs/dbraw/zinc/72/42/16/519724216.db2.gz PXOCKUINDVAIAB-GVDBMIGSSA-N 1 1 266.473 3.521 10 0 CHAEMO CC(C)C[C@@H]1CN[C@H](C(C)C)C[N@H+]1C1CCCCC1 ZINC000062663209 519274056 /nfs/dbraw/zinc/27/40/56/519274056.db2.gz GYKUNEHVVSUGLH-SJORKVTESA-N 1 1 266.473 3.664 10 0 CHAEMO CC(C)C[N@@H+](Cc1nc2sccc2c(Cl)n1)C1CC1 ZINC000050840366 519718630 /nfs/dbraw/zinc/71/86/30/519718630.db2.gz LIFWIKYNPVGRRW-UHFFFAOYSA-N 1 1 295.839 3.965 10 0 CHAEMO CC(C)[C@H](CN(C)C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000049196614 519814685 /nfs/dbraw/zinc/81/46/85/519814685.db2.gz MLXYFJXTGGFPLR-AWEZNQCLSA-N 1 1 289.250 3.669 10 0 CHAEMO CC(C)c1csc([C@H]([NH3+])c2cc(F)c(F)c(F)c2)n1 ZINC000062719438 519857426 /nfs/dbraw/zinc/85/74/26/519857426.db2.gz HIEVXNBSNLQKDK-GFCCVEGCSA-N 1 1 286.322 3.732 10 0 CHAEMO CCNC[C@H](C(C)C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345510 519957882 /nfs/dbraw/zinc/95/78/82/519957882.db2.gz KAGMGHLNGXQMJO-UYSNPLJNSA-N 1 1 254.462 3.521 10 0 CHAEMO CCNC[C@H](C(C)C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345510 519957889 /nfs/dbraw/zinc/95/78/89/519957889.db2.gz KAGMGHLNGXQMJO-UYSNPLJNSA-N 1 1 254.462 3.521 10 0 CHAEMO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000139065300 520427866 /nfs/dbraw/zinc/42/78/66/520427866.db2.gz NLHHRNLFTLLGNO-QWHCGFSZSA-N 1 1 273.380 3.610 10 0 CHAEMO CCCOc1cccc([C@H]([NH2+]C)c2nc(C)cs2)c1 ZINC000052921846 520470495 /nfs/dbraw/zinc/47/04/95/520470495.db2.gz PVNYKLUBUUKMQZ-AWEZNQCLSA-N 1 1 276.405 3.549 10 0 CHAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc(F)cc2)[nH]1 ZINC000088398695 521300258 /nfs/dbraw/zinc/30/02/58/521300258.db2.gz COWNTLJVUNFGIV-UHFFFAOYSA-N 1 1 295.789 3.835 10 0 CHAEMO CCC[N@H+](CC1CC1)[C@@H](CNC(C)(C)C)C(C)C ZINC000052514322 521626699 /nfs/dbraw/zinc/62/66/99/521626699.db2.gz HCHFWAMYMIZERI-HNNXBMFYSA-N 1 1 254.462 3.521 10 0 CHAEMO CCC[N@@H+](CC1CC1)[C@@H](CNC(C)(C)C)C(C)C ZINC000052514322 521626702 /nfs/dbraw/zinc/62/67/02/521626702.db2.gz HCHFWAMYMIZERI-HNNXBMFYSA-N 1 1 254.462 3.521 10 0 CHAEMO CCS[C@H]1CC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000226804410 521733006 /nfs/dbraw/zinc/73/30/06/521733006.db2.gz BZQLRIFIZZEOFL-UWVGGRQHSA-N 1 1 256.802 3.821 10 0 CHAEMO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(C)(C)CC1 ZINC000061818356 522654042 /nfs/dbraw/zinc/65/40/42/522654042.db2.gz RARGXZLIJZWFIY-UKRRQHHQSA-N 1 1 280.481 3.957 10 0 CHAEMO CC[C@@H](c1cccs1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000049531892 523107397 /nfs/dbraw/zinc/10/73/97/523107397.db2.gz UCUYAJPAKVJJNI-AWEZNQCLSA-N 1 1 258.390 3.797 10 0 CHAEMO CC[C@H](C)[N@H+]1C[C@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705195 523961544 /nfs/dbraw/zinc/96/15/44/523961544.db2.gz PZGAUSZSXVBCPO-WDSOQIARSA-N 1 1 288.479 3.716 10 0 CHAEMO CC[C@H](C)N1C[C@H](CC(C)C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062705195 523961546 /nfs/dbraw/zinc/96/15/46/523961546.db2.gz PZGAUSZSXVBCPO-WDSOQIARSA-N 1 1 288.479 3.716 10 0 CHAEMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157000646 524027708 /nfs/dbraw/zinc/02/77/08/524027708.db2.gz QOSXNEZHNGWDNJ-CQSZACIVSA-N 1 1 288.416 3.531 10 0 CHAEMO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)cc2F)o1 ZINC000051727478 524051575 /nfs/dbraw/zinc/05/15/75/524051575.db2.gz WKUJVECMJFWVKI-CQSZACIVSA-N 1 1 267.731 3.943 10 0 CHAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000062666575 524302727 /nfs/dbraw/zinc/30/27/27/524302727.db2.gz NLEJSRFQDHZAFS-NXHRZFHOSA-N 1 1 272.436 3.602 10 0 CHAEMO C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H](C)O1 ZINC000041479121 524674096 /nfs/dbraw/zinc/67/40/96/524674096.db2.gz GEQFMYARDDRGJJ-QWRGUYRKSA-N 1 1 276.767 3.502 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1nccs1 ZINC000070984409 525607367 /nfs/dbraw/zinc/60/73/67/525607367.db2.gz SYKNKMCJEDZOAB-DTWKUNHWSA-N 1 1 268.332 3.833 10 0 CHAEMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccsc1 ZINC000050338860 525626586 /nfs/dbraw/zinc/62/65/86/525626586.db2.gz PBWJYGLMXYIGRV-CJNGLKHVSA-N 1 1 274.433 3.702 10 0 CHAEMO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743515 525648150 /nfs/dbraw/zinc/64/81/50/525648150.db2.gz ANHIZAPXDDOFRP-IAQYHMDHSA-N 1 1 288.778 3.909 10 0 CHAEMO C[C@@H](Nc1ccc(N)c[nH+]1)c1ccc(Br)cc1 ZINC000049525221 525707377 /nfs/dbraw/zinc/70/73/77/525707377.db2.gz XZTUGUSSQVBXBI-SECBINFHSA-N 1 1 292.180 3.599 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)o1 ZINC000036960086 525946110 /nfs/dbraw/zinc/94/61/10/525946110.db2.gz GRPXSKLBZQJRRQ-JSGCOSHPSA-N 1 1 257.333 3.762 10 0 CHAEMO Cc1nc(C[NH2+][C@H](c2ccccc2)C2CCC2)oc1C ZINC000104702105 526894539 /nfs/dbraw/zinc/89/45/39/526894539.db2.gz JMPFAESXSCBICH-QGZVFWFLSA-N 1 1 270.376 3.922 10 0 CHAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)c3ccccc3C)C2)no1 ZINC000127656354 526923484 /nfs/dbraw/zinc/92/34/84/526923484.db2.gz QQCRIADLQLSSBA-GOEBONIOSA-N 1 1 299.418 3.702 10 0 CHAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)cn1 ZINC000128398034 527300865 /nfs/dbraw/zinc/30/08/65/527300865.db2.gz YOXNNWGKOQINQB-CQSZACIVSA-N 1 1 297.427 3.624 10 0 CHAEMO Nc1ccc2c(c1)[nH+]c(C1CC1)n2Cc1cccs1 ZINC000052852468 527509604 /nfs/dbraw/zinc/50/96/04/527509604.db2.gz AATUGMQLUBTUOI-UHFFFAOYSA-N 1 1 269.373 3.606 10 0 CHAEMO CCC[n+]1ccc(-c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000226773855 567040532 /nfs/dbraw/zinc/04/05/32/567040532.db2.gz JZVIRWJIAKIHNI-UHFFFAOYSA-O 1 1 286.786 3.889 10 0 CHAEMO Clc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000043258206 567892401 /nfs/dbraw/zinc/89/24/01/567892401.db2.gz WDVPNDAFVKSDKK-UHFFFAOYSA-N 1 1 271.751 3.506 10 0 CHAEMO C[C@@H]1CCC[N@H+](C2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685961523 570406855 /nfs/dbraw/zinc/40/68/55/570406855.db2.gz SLWUQPMHORFBJH-CQSZACIVSA-N 1 1 296.455 3.508 10 0 CHAEMO CC[NH+](CC)Cc1nc(Cl)c2c(n1)CC[C@H](C(C)C)C2 ZINC000616569976 570408700 /nfs/dbraw/zinc/40/87/00/570408700.db2.gz ZBZMPLBRHFXXJF-LBPRGKRZSA-N 1 1 295.858 3.733 10 0 CHAEMO COCCCCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000103227795 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CCC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(F)cc2)C1 ZINC000037209959 173031720 /nfs/dbraw/zinc/03/17/20/173031720.db2.gz IUXYDFTZYJIZBH-ZIAGYGMSSA-N 1 1 264.388 3.748 10 0 CHAEMO C[C@@H](Nc1cccc(Br)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000037209951 173031745 /nfs/dbraw/zinc/03/17/45/173031745.db2.gz XDSULGJCBDUNAP-NEPJUHHUSA-N 1 1 297.240 3.591 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1 ZINC000037220188 173038239 /nfs/dbraw/zinc/03/82/39/173038239.db2.gz KVYKLFJHDWFYKU-KCQAQPDRSA-N 1 1 280.843 3.721 10 0 CHAEMO CCc1ccc(C(=O)[C@@H](C)[N@@H+](C)C2CCCC2)cc1 ZINC000037334813 173135838 /nfs/dbraw/zinc/13/58/38/173135838.db2.gz ORIGGULSPQVCHH-CYBMUJFWSA-N 1 1 259.393 3.695 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)c1ccc(F)cc1F ZINC000037336303 173137026 /nfs/dbraw/zinc/13/70/26/173137026.db2.gz PHGOXVFJKYBDJZ-LLVKDONJSA-N 1 1 269.335 3.514 10 0 CHAEMO CCCc1ccc(C(=O)C[N@H+](C)[C@H](C)CCC)cc1 ZINC000037339338 173140332 /nfs/dbraw/zinc/14/03/32/173140332.db2.gz KQMJFPMQRAAIJD-CQSZACIVSA-N 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ZINC000106212092 261322645 /nfs/dbraw/zinc/32/26/45/261322645.db2.gz YSAJOQBJIQYWKO-MRXNPFEDSA-N 1 1 275.440 3.663 10 0 CHAEMO CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000164628307 261356063 /nfs/dbraw/zinc/35/60/63/261356063.db2.gz OLFVYKMATVEVGT-YOEHRIQHSA-N 1 1 298.434 3.662 10 0 CHAEMO Cc1cnn(CCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000108949202 261389555 /nfs/dbraw/zinc/38/95/55/261389555.db2.gz XBMFBHWRMUIZJL-UHFFFAOYSA-N 1 1 286.766 3.505 10 0 CHAEMO CCC[C@@H]([NH2+][C@@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000167720123 261406035 /nfs/dbraw/zinc/40/60/35/261406035.db2.gz UIUBSSUGLGWJOV-HZPDHXFCSA-N 1 1 298.434 3.806 10 0 CHAEMO CC[C@H](C)[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270133 262342589 /nfs/dbraw/zinc/34/25/89/262342589.db2.gz SHYLWSXMDOETQW-XOVPDBADSA-N 1 1 289.423 3.583 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cccc(F)c1Cl)CC2 ZINC000093190919 263119203 /nfs/dbraw/zinc/11/92/03/263119203.db2.gz AYHZTMVOAPJWNO-CJNGLKHVSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1oncc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000189440728 264298438 /nfs/dbraw/zinc/29/84/38/264298438.db2.gz DRQPQUXSLQVVQE-ZETCQYMHSA-N 1 1 256.758 3.549 10 0 CHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cncc(C)c2)C12CCCC2 ZINC000189956701 264338034 /nfs/dbraw/zinc/33/80/34/264338034.db2.gz ZMNVTASBGXTFSF-SJORKVTESA-N 1 1 288.435 3.560 10 0 CHAEMO C[C@@H](c1ccc(Cl)cc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094448218 265242697 /nfs/dbraw/zinc/24/26/97/265242697.db2.gz ITVXQRNLXRCRSO-WCQYABFASA-N 1 1 299.245 3.834 10 0 CHAEMO C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000252684168 327025320 /nfs/dbraw/zinc/02/53/20/327025320.db2.gz GADBGPVIYYMZDA-SLTXQBBLSA-N 1 1 266.473 3.508 10 0 CHAEMO Cc1cc(C[NH2+][C@H](C)c2csc(C)n2)cs1 ZINC000381382363 327525601 /nfs/dbraw/zinc/52/56/01/327525601.db2.gz LSWDAACZJPPJOU-SECBINFHSA-N 1 1 252.408 3.672 10 0 CHAEMO CCc1ccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000172247996 329084045 /nfs/dbraw/zinc/08/40/45/329084045.db2.gz DEVFOIAOEMHCMV-GOSISDBHSA-N 1 1 283.419 3.591 10 0 CHAEMO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccco1)c1cccc(Cl)c1 ZINC000173759183 329148253 /nfs/dbraw/zinc/14/82/53/329148253.db2.gz LFYVUWAPQXJHJD-CABCVRRESA-N 1 1 291.778 3.804 10 0 CHAEMO CC(C)n1cc(C[N@H+]2CC=C(c3cccs3)CC2)cn1 ZINC000179817704 329212382 /nfs/dbraw/zinc/21/23/82/329212382.db2.gz HQTRUHFDKRAWFR-UHFFFAOYSA-N 1 1 287.432 3.815 10 0 CHAEMO CC(C)n1cc(C[N@@H+]2CC=C(c3cccs3)CC2)cn1 ZINC000179817704 329212383 /nfs/dbraw/zinc/21/23/83/329212383.db2.gz HQTRUHFDKRAWFR-UHFFFAOYSA-N 1 1 287.432 3.815 10 0 CHAEMO CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000181889280 329238372 /nfs/dbraw/zinc/23/83/72/329238372.db2.gz HZORSAGPUDEGPM-CYBMUJFWSA-N 1 1 279.380 3.538 10 0 CHAEMO Cn1c(C[NH2+][C@H](c2ccccc2)C(C)(C)C)nnc1C1CC1 ZINC000195099759 329690516 /nfs/dbraw/zinc/69/05/16/329690516.db2.gz KEPGTQATFUUQGE-MRXNPFEDSA-N 1 1 298.434 3.570 10 0 CHAEMO CCC(CC)C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245915107 334223763 /nfs/dbraw/zinc/22/37/63/334223763.db2.gz 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ZINC000052921848 520464638 /nfs/dbraw/zinc/46/46/38/520464638.db2.gz PVNYKLUBUUKMQZ-CQSZACIVSA-N 1 1 276.405 3.549 10 0 CHAEMO CC[N@@H+](Cc1cc2ccccc2nc1NC)C(C)C ZINC000050812815 521296747 /nfs/dbraw/zinc/29/67/47/521296747.db2.gz OYCKHYAOPLYUJU-UHFFFAOYSA-N 1 1 257.381 3.507 10 0 CHAEMO CC[N@H+]([C@@H](CNC(C)(C)C)C(C)C)C1CCCC1 ZINC000052457544 521471648 /nfs/dbraw/zinc/47/16/48/521471648.db2.gz OAPSMXKQHNRTRO-HNNXBMFYSA-N 1 1 254.462 3.664 10 0 CHAEMO CC[N@@H+]([C@@H](CNC(C)(C)C)C(C)C)C1CCCC1 ZINC000052457544 521471655 /nfs/dbraw/zinc/47/16/55/521471655.db2.gz OAPSMXKQHNRTRO-HNNXBMFYSA-N 1 1 254.462 3.664 10 0 CHAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](CNC1CC1)c1ccccc1 ZINC000052458356 522085735 /nfs/dbraw/zinc/08/57/35/522085735.db2.gz BONCEONOIKEYPL-PBHICJAKSA-N 1 1 260.425 3.600 10 0 CHAEMO CC(C)C[C@@H]1C[N@@H+](C2CCCC2)[C@H](CC(C)C)CN1 ZINC000062663217 519270475 /nfs/dbraw/zinc/27/04/75/519270475.db2.gz GMIIJBCTMAAOQO-NVXWUHKLSA-N 1 1 266.473 3.664 10 0 CHAEMO CC(C)C[C@@H]1C[N@@H+](CC(C)C)[C@H](Cc2ccccc2)CN1 ZINC000062705187 519272089 /nfs/dbraw/zinc/27/20/89/519272089.db2.gz YPEMHFDLDJVWRE-RTBURBONSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[C@@H]1CN(CC(C)C)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000062705187 519272094 /nfs/dbraw/zinc/27/20/94/519272094.db2.gz YPEMHFDLDJVWRE-RTBURBONSA-N 1 1 288.479 3.574 10 0 CHAEMO CC(C)C[C@@H]1C[N@@H+](C2CCCC2)[C@H](c2ccccc2)CN1 ZINC000062673061 519272298 /nfs/dbraw/zinc/27/22/98/519272298.db2.gz SCUDYBPWCKUOCS-MJGOQNOKSA-N 1 1 286.463 3.990 10 0 CHAEMO CC(C)C[C@@H]1CN(C2CCCC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062673061 519272307 /nfs/dbraw/zinc/27/23/07/519272307.db2.gz SCUDYBPWCKUOCS-MJGOQNOKSA-N 1 1 286.463 3.990 10 0 CHAEMO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C1CCCC1 ZINC000062663224 519274264 /nfs/dbraw/zinc/27/42/64/519274264.db2.gz GMIIJBCTMAAOQO-DOTOQJQBSA-N 1 1 266.473 3.664 10 0 CHAEMO CC(C)C[C@H]1CNC(C)(C)C[N@H+]1CCCc1ccccc1 ZINC000062705133 519415540 /nfs/dbraw/zinc/41/55/40/519415540.db2.gz CXWRAKUTBGJCNQ-SFHVURJKSA-N 1 1 288.479 3.718 10 0 CHAEMO CCCCCC[N@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000062668229 520076174 /nfs/dbraw/zinc/07/61/74/520076174.db2.gz UZAMMEPHESQTNX-KRWDZBQOSA-N 1 1 274.452 3.992 10 0 CHAEMO CCCCCCN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000062668229 520076186 /nfs/dbraw/zinc/07/61/86/520076186.db2.gz UZAMMEPHESQTNX-KRWDZBQOSA-N 1 1 274.452 3.992 10 0 CHAEMO CCCCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062664755 520078741 /nfs/dbraw/zinc/07/87/41/520078741.db2.gz UIECTYRNPOLRLD-IRXDYDNUSA-N 1 1 268.489 3.911 10 0 CHAEMO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CCCCC1 ZINC000054554704 520096369 /nfs/dbraw/zinc/09/63/69/520096369.db2.gz GWPWZBZEZIOOBX-ULQDDVLXSA-N 1 1 266.473 3.665 10 0 CHAEMO CCCCCC[C@@H](C)N1CCC([NH2+]CCC)CC1 ZINC000049216687 520114087 /nfs/dbraw/zinc/11/40/87/520114087.db2.gz OESNMGZEFPSZDZ-OAHLLOKOSA-N 1 1 254.462 3.809 10 0 CHAEMO CCCCC[N@@H+](C)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054558984 520151757 /nfs/dbraw/zinc/15/17/57/520151757.db2.gz LLQXLWMYEOUIAS-HUUCEWRRSA-N 1 1 253.430 3.750 10 0 CHAEMO CCC[C@H]([NH2+]Cc1ncc(Cl)n1C)c1cccs1 ZINC000049544726 521165943 /nfs/dbraw/zinc/16/59/43/521165943.db2.gz GYRNHXROJAVQMG-JTQLQIEISA-N 1 1 283.828 3.766 10 0 CHAEMO CC[C@@H](C)[N@H+](CC)[C@@H](CNC1CC1)c1ccccc1 ZINC000052458356 522085727 /nfs/dbraw/zinc/08/57/27/522085727.db2.gz BONCEONOIKEYPL-PBHICJAKSA-N 1 1 260.425 3.600 10 0 CHAEMO CNc1ccc(Cl)c(C[N@@H+](C)C2CCC(C)CC2)n1 ZINC000061638869 522620859 /nfs/dbraw/zinc/62/08/59/522620859.db2.gz WAONIZPKYJPZTI-UHFFFAOYSA-N 1 1 281.831 3.787 10 0 CHAEMO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C)C1CCCCC1 ZINC000052338744 522840673 /nfs/dbraw/zinc/84/06/73/522840673.db2.gz WEQLYTXJCQBLJR-IAGOWNOFSA-N 1 1 266.473 3.809 10 0 CHAEMO COCCC[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111308418 523304401 /nfs/dbraw/zinc/30/44/01/523304401.db2.gz BZFZNYQFWAVZDH-OAHLLOKOSA-N 1 1 297.826 3.528 10 0 CHAEMO COCCC[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111308418 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ZINC000050338863 525594988 /nfs/dbraw/zinc/59/49/88/525594988.db2.gz PBWJYGLMXYIGRV-XJKSGUPXSA-N 1 1 274.433 3.702 10 0 CHAEMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cccnc2)o1 ZINC000130942643 525802181 /nfs/dbraw/zinc/80/21/81/525802181.db2.gz BZBSYBOJCJYTPG-HNNXBMFYSA-N 1 1 256.349 3.710 10 0 CHAEMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000130206192 525937090 /nfs/dbraw/zinc/93/70/90/525937090.db2.gz DLTXSKYDPJPSAN-GVDBMIGSSA-N 1 1 272.436 3.581 10 0 CHAEMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000130206192 525937101 /nfs/dbraw/zinc/93/71/01/525937101.db2.gz DLTXSKYDPJPSAN-GVDBMIGSSA-N 1 1 272.436 3.581 10 0 CHAEMO Cc1ccc2nc(SCCC[NH2+]C(C)(C)C)[nH]c2c1 ZINC000061440685 526255305 /nfs/dbraw/zinc/25/53/05/526255305.db2.gz JJYQGNWEAXDUAL-UHFFFAOYSA-N 1 1 277.437 3.742 10 0 CHAEMO Fc1cc(Cl)ccc1C[NH2+][C@H]1COc2ccccc21 ZINC000157436839 526301762 /nfs/dbraw/zinc/30/17/62/526301762.db2.gz IPTILOPDEFFZFM-AWEZNQCLSA-N 1 1 277.726 3.702 10 0 CHAEMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157019841 526347729 /nfs/dbraw/zinc/34/77/29/526347729.db2.gz ROVREXGQSQAREX-LLVKDONJSA-N 1 1 294.370 3.801 10 0 CHAEMO Cc1[nH+]ccn1CCNc1ccc(Cl)c(Cl)c1 ZINC000049329836 527432856 /nfs/dbraw/zinc/43/28/56/527432856.db2.gz AWABNMCBFROLPS-UHFFFAOYSA-N 1 1 270.163 3.610 10 0 CHAEMO CC[C@@H](O)C[N@@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000036097928 566994512 /nfs/dbraw/zinc/99/45/12/566994512.db2.gz YTROOBZUBOBNLK-MRXNPFEDSA-N 1 1 291.366 3.500 10 0 CHAEMO C[C@@H]1CCC[N@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000685960784 570406851 /nfs/dbraw/zinc/40/68/51/570406851.db2.gz CIYOGAUTLOVPJC-PBHICJAKSA-N 1 1 296.455 3.508 10 0 CHAEMO c1ccc(CC[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000001640508 1118764385 /nfs/dbraw/zinc/76/43/85/1118764385.db2.gz OVZMZCMVCPKOQR-UHFFFAOYSA-N 1 1 276.383 3.769 10 0 CHAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)ccc1F ZINC000188947195 1120469857 /nfs/dbraw/zinc/46/98/57/1120469857.db2.gz MIXDOANYFAEHOA-INIZCTEOSA-N 1 1 289.325 3.887 10 0 CHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000005722208 170133277 /nfs/dbraw/zinc/13/32/77/170133277.db2.gz QUQCIZKURXCKIB-QAPCUYQASA-N 1 1 251.373 3.922 10 0 CHAEMO C[N@@H+](CC1CCCCC1)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225984 171090630 /nfs/dbraw/zinc/09/06/30/171090630.db2.gz DRFNHMRCBKNXJY-INIZCTEOSA-N 1 1 280.843 3.852 10 0 CHAEMO CN(CC1CCCCC1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225984 171090632 /nfs/dbraw/zinc/09/06/32/171090632.db2.gz DRFNHMRCBKNXJY-INIZCTEOSA-N 1 1 280.843 3.852 10 0 CHAEMO CCCCCC[C@@](C)(CN)[N@H+](C)Cc1ccccc1 ZINC000020362579 171161624 /nfs/dbraw/zinc/16/16/24/171161624.db2.gz OQWFSALBLZPMIG-KRWDZBQOSA-N 1 1 262.441 3.806 10 0 CHAEMO CCCCCC[C@@](C)(CN)[N@@H+](C)Cc1ccccc1 ZINC000020362579 171161626 /nfs/dbraw/zinc/16/16/26/171161626.db2.gz OQWFSALBLZPMIG-KRWDZBQOSA-N 1 1 262.441 3.806 10 0 CHAEMO CCOc1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369202 171167213 /nfs/dbraw/zinc/16/72/13/171167213.db2.gz BIQLFOJIPKPMKL-QGZVFWFLSA-N 1 1 267.328 3.880 10 0 CHAEMO C[C@H]1CCCC[N@H+]1CCCNc1c(N)cccc1Cl ZINC000020382949 171173325 /nfs/dbraw/zinc/17/33/25/171173325.db2.gz OQKWGIVHJORSRQ-LBPRGKRZSA-N 1 1 281.831 3.599 10 0 CHAEMO CCCC[NH+](CCCC)[C@H](CN)c1ccccc1OC ZINC000020484727 171224714 /nfs/dbraw/zinc/22/47/14/171224714.db2.gz XVZHBFJZMGVWQL-MRXNPFEDSA-N 1 1 278.440 3.597 10 0 CHAEMO [NH3+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1N1CCCCCC1 ZINC000021039148 171293016 /nfs/dbraw/zinc/29/30/16/171293016.db2.gz HRTQGENBYQAFPX-SQNIBIBYSA-N 1 1 272.436 3.526 10 0 CHAEMO CC[N@@H+](C[C@@H](N)c1ccccc1C)C1CCCCC1 ZINC000021809737 171328523 /nfs/dbraw/zinc/32/85/23/171328523.db2.gz HBTBGTRQLRKDHP-QGZVFWFLSA-N 1 1 260.425 3.649 10 0 CHAEMO CC(C)[C@@H](CN[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000021817801 171333079 /nfs/dbraw/zinc/33/30/79/171333079.db2.gz ASCPOCGCMSZARP-SWLSCSKDSA-N 1 1 268.832 3.577 10 0 CHAEMO C[C@H](C(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000035020097 171938230 /nfs/dbraw/zinc/93/82/30/171938230.db2.gz JRBCEBJBFYKVNF-LLVKDONJSA-N 1 1 296.208 3.506 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@@](CN)([N@@H+](C)C2CCCCC2)C1 ZINC000035176641 172028982 /nfs/dbraw/zinc/02/89/82/172028982.db2.gz VGXPGIUBORNBEI-PBHICJAKSA-N 1 1 266.473 3.795 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)C1CCCCC1 ZINC000035176677 172029093 /nfs/dbraw/zinc/02/90/93/172029093.db2.gz SLMUWJJFZOUCLE-GOEBONIOSA-N 1 1 254.462 3.795 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)C1CCCCC1 ZINC000035176675 172029494 /nfs/dbraw/zinc/02/94/94/172029494.db2.gz SLMUWJJFZOUCLE-GDBMZVCRSA-N 1 1 254.462 3.795 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@](CN)([N@@H+](C)C2CCCCC2)C1 ZINC000035176644 172029613 /nfs/dbraw/zinc/02/96/13/172029613.db2.gz VGXPGIUBORNBEI-RHSMWYFYSA-N 1 1 266.473 3.795 10 0 CHAEMO CCC1CCC(CN)([N@@H+](CC)C2CCCCC2)CC1 ZINC000035176736 172029896 /nfs/dbraw/zinc/02/98/96/172029896.db2.gz NJDGCSNGJKLEJZ-UHFFFAOYSA-N 1 1 266.473 3.939 10 0 CHAEMO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@@H+](C)C1CCCCC1 ZINC000035219787 172061314 /nfs/dbraw/zinc/06/13/14/172061314.db2.gz YCXBKAJKCLKQHJ-ROUUACIJSA-N 1 1 274.452 3.976 10 0 CHAEMO CC[NH2+][C@@H](c1ccoc1C)c1cc(F)ccc1F ZINC000035543422 172251543 /nfs/dbraw/zinc/25/15/43/172251543.db2.gz JQZKIBQALHJDEY-AWEZNQCLSA-N 1 1 251.276 3.565 10 0 CHAEMO CC[NH2+][C@@H](c1occc1C)c1ccc(F)cc1F ZINC000035547261 172255166 /nfs/dbraw/zinc/25/51/66/172255166.db2.gz CSHNSDWZHBJPES-CYBMUJFWSA-N 1 1 251.276 3.565 10 0 CHAEMO Clc1cc(Cl)c(Cl)c2c1OC[C@H]2[NH2+]C1CC1 ZINC000035653154 172329809 /nfs/dbraw/zinc/32/98/09/172329809.db2.gz KGIXXAJWBHSKIA-MRVPVSSYSA-N 1 1 278.566 3.832 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)Cc1cccs1 ZINC000035717226 172371355 /nfs/dbraw/zinc/37/13/55/172371355.db2.gz KNLUIWVRZCWCRN-DZGCQCFKSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+](C)Cc1cccs1 ZINC000035717226 172371358 /nfs/dbraw/zinc/37/13/58/172371358.db2.gz KNLUIWVRZCWCRN-DZGCQCFKSA-N 1 1 268.470 3.724 10 0 CHAEMO C[N@H+](Cc1ccsc1)Cc1cc(N)ccc1Cl ZINC000035718384 172372467 /nfs/dbraw/zinc/37/24/67/172372467.db2.gz 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/nfs/dbraw/zinc/03/51/68/173035168.db2.gz XZLUKZKZPQGDRM-IINYFYTJSA-N 1 1 297.807 3.853 10 0 CHAEMO CCC[C@H](C)[N@@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037339342 173140129 /nfs/dbraw/zinc/14/01/29/173140129.db2.gz GZNAESCMRRKDFF-HNNXBMFYSA-N 1 1 261.409 3.915 10 0 CHAEMO CC[C@@H](NC[C@@H](C)[NH+]1CCCCC1)c1ccccc1OC ZINC000038028975 174018869 /nfs/dbraw/zinc/01/88/69/174018869.db2.gz ZEOCCVYTOXEEPD-NVXWUHKLSA-N 1 1 290.451 3.610 10 0 CHAEMO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032453 174028693 /nfs/dbraw/zinc/02/86/93/174028693.db2.gz NIWBAVMAVFOULD-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032453 174028696 /nfs/dbraw/zinc/02/86/96/174028696.db2.gz NIWBAVMAVFOULD-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@H](c1c(F)cccc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032644 174028827 /nfs/dbraw/zinc/02/88/27/174028827.db2.gz CNDMXSQLZPUGBR-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@H](c1c(F)cccc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032644 174028831 /nfs/dbraw/zinc/02/88/31/174028831.db2.gz CNDMXSQLZPUGBR-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032519 174029208 /nfs/dbraw/zinc/02/92/08/174029208.db2.gz BGURWNPMLSAPIN-SFHVURJKSA-N 1 1 284.378 3.917 10 0 CHAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000038983689 174160942 /nfs/dbraw/zinc/16/09/42/174160942.db2.gz MKJPQUJUXGGAKZ-KRWDZBQOSA-N 1 1 278.440 3.596 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](CN)c2ccc(C(C)(C)C)cc2)C1 ZINC000039789051 174173416 /nfs/dbraw/zinc/17/34/16/174173416.db2.gz RWOPBQVSYOELFC-RVKKMQEKSA-N 1 1 288.479 3.962 10 0 CHAEMO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000039789051 174173418 /nfs/dbraw/zinc/17/34/18/174173418.db2.gz RWOPBQVSYOELFC-RVKKMQEKSA-N 1 1 288.479 3.962 10 0 CHAEMO Cc1csc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000041182052 174506103 /nfs/dbraw/zinc/50/61/03/174506103.db2.gz NUEBKCONOPJPPF-JTQLQIEISA-N 1 1 272.295 3.518 10 0 CHAEMO CCc1ccc(C(=O)C[N@H+](CC(C)C)C2CC2)s1 ZINC000042558600 174794684 /nfs/dbraw/zinc/79/46/84/174794684.db2.gz HBQRGYJGRPUROY-UHFFFAOYSA-N 1 1 265.422 3.614 10 0 CHAEMO CCc1ccc(C(=O)C[N@@H+](CC(C)C)C2CC2)s1 ZINC000042558600 174794687 /nfs/dbraw/zinc/79/46/87/174794687.db2.gz HBQRGYJGRPUROY-UHFFFAOYSA-N 1 1 265.422 3.614 10 0 CHAEMO COc1cc2c(cc1Cl)CC[N@H+](C)[C@@H]2c1ccccc1 ZINC000045286525 175354033 /nfs/dbraw/zinc/35/40/33/175354033.db2.gz VPOGKOASTNUXEU-QGZVFWFLSA-N 1 1 287.790 3.926 10 0 CHAEMO COc1cc2c(cc1Cl)CC[N@@H+](C)[C@@H]2c1ccccc1 ZINC000045286525 175354034 /nfs/dbraw/zinc/35/40/34/175354034.db2.gz VPOGKOASTNUXEU-QGZVFWFLSA-N 1 1 287.790 3.926 10 0 CHAEMO Cc1cccnc1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000071339340 176129949 /nfs/dbraw/zinc/12/99/49/176129949.db2.gz MBQMCBMEYFLQOH-LLVKDONJSA-N 1 1 262.303 3.519 10 0 CHAEMO Cc1cc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000211744890 260309865 /nfs/dbraw/zinc/30/98/65/260309865.db2.gz KOYZWFBJRCVYOW-BZNIZROVSA-N 1 1 256.349 3.711 10 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1 292.814 3.501 10 0 CHAEMO COc1ccccc1[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000120421175 262194870 /nfs/dbraw/zinc/19/48/70/262194870.db2.gz ONIOWKCRVIAHAW-QAPCUYQASA-N 1 1 298.430 3.649 10 0 CHAEMO CC[C@@H](C)[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270132 262342487 /nfs/dbraw/zinc/34/24/87/262342487.db2.gz SHYLWSXMDOETQW-LJVYNOFUSA-N 1 1 289.423 3.583 10 0 CHAEMO CC(C)(C)[C@@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270151 262342512 /nfs/dbraw/zinc/34/25/12/262342512.db2.gz QZBFKIMYTMLBCT-RQYMUSGFSA-N 1 1 289.423 3.583 10 0 CHAEMO Clc1ncc(C[N@H+]2CCCC23CCCC3)s1 ZINC000366101767 263103630 /nfs/dbraw/zinc/10/36/30/263103630.db2.gz CEKBHIUKBQCQLY-UHFFFAOYSA-N 1 1 256.802 3.705 10 0 CHAEMO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000289997597 328257302 /nfs/dbraw/zinc/25/73/02/328257302.db2.gz STUZMZFDZSQZRQ-ZDUSSCGKSA-N 1 1 257.381 3.692 10 0 CHAEMO CCc1cnc([C@H](C)Nc2cc[nH+]cc2Cl)s1 ZINC000134927885 328517648 /nfs/dbraw/zinc/51/76/48/328517648.db2.gz 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/nfs/dbraw/zinc/06/23/17/329062317.db2.gz NFMWKZNWFZRJGH-MRXNPFEDSA-N 1 1 289.810 3.719 10 0 CHAEMO Cc1ccc(-c2cc(C[N@H+]3CCS[C@@H](C)C3)on2)cc1 ZINC000171690900 329078620 /nfs/dbraw/zinc/07/86/20/329078620.db2.gz DHHGQSZNESCCSV-ZDUSSCGKSA-N 1 1 288.416 3.587 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000178321393 329198610 /nfs/dbraw/zinc/19/86/10/329198610.db2.gz AHCKFSDBLCWTST-LBPRGKRZSA-N 1 1 295.839 3.571 10 0 CHAEMO Fc1ccc2c(C3=CC[N@@H+](Cc4cc[nH]c4)CC3)c[nH]c2c1 ZINC000179799622 329212201 /nfs/dbraw/zinc/21/22/01/329212201.db2.gz BTOIZZCBTUEBFN-UHFFFAOYSA-N 1 1 295.361 3.924 10 0 CHAEMO c1csc(C2=CC[N@@H+](Cc3cnn4ccccc34)CC2)c1 ZINC000179817861 329212591 /nfs/dbraw/zinc/21/25/91/329212591.db2.gz ZIFSJXCUORSEQG-UHFFFAOYSA-N 1 1 295.411 3.685 10 0 CHAEMO CCO[C@H]1C[C@H]([N@H+](C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593430 329220985 /nfs/dbraw/zinc/22/09/85/329220985.db2.gz IDQYUQCUJNIMHD-KBPBESRZSA-N 1 1 294.464 3.621 10 0 CHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593430 329220986 /nfs/dbraw/zinc/22/09/86/329220986.db2.gz IDQYUQCUJNIMHD-KBPBESRZSA-N 1 1 294.464 3.621 10 0 CHAEMO CC/C=C/CC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000184529489 329259640 /nfs/dbraw/zinc/25/96/40/329259640.db2.gz YKHCPTATALDOLE-LFAOLKIESA-N 1 1 261.413 3.530 10 0 CHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000187126065 329353480 /nfs/dbraw/zinc/35/34/80/329353480.db2.gz FLYSTLYNSDMRJB-LJQANCHMSA-N 1 1 297.446 3.679 10 0 CHAEMO Fc1ccc(Cl)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000188925125 329373472 /nfs/dbraw/zinc/37/34/72/329373472.db2.gz PDCKWBDVVHUIKG-UHFFFAOYSA-N 1 1 293.773 3.582 10 0 CHAEMO C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccco1 ZINC000379615235 330141883 /nfs/dbraw/zinc/14/18/83/330141883.db2.gz AKTAEYQPGUCCGF-SJLPKXTDSA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000379615235 330141885 /nfs/dbraw/zinc/14/18/85/330141885.db2.gz AKTAEYQPGUCCGF-SJLPKXTDSA-N 1 1 298.430 3.985 10 0 CHAEMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000163648946 331065301 /nfs/dbraw/zinc/06/53/01/331065301.db2.gz RRTRJBIONDPDES-HNNXBMFYSA-N 1 1 258.409 3.523 10 0 CHAEMO FC(F)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000183926981 333123579 /nfs/dbraw/zinc/12/35/79/333123579.db2.gz HLOAKYILMJCMEG-GJZGRUSLSA-N 1 1 281.346 3.768 10 0 CHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1F)CC2 ZINC000219823604 333157612 /nfs/dbraw/zinc/15/76/12/333157612.db2.gz AEZIEECRMWVNBU-XJKSGUPXSA-N 1 1 297.801 3.606 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000219823366 333157756 /nfs/dbraw/zinc/15/77/56/333157756.db2.gz YJZWWWKUPGXRDL-BBRMVZONSA-N 1 1 297.801 3.606 10 0 CHAEMO C[C@@H](NC[C@@H]1CCC[N@H+]1C)c1cc(Cl)ccc1Cl ZINC000222704347 333199165 /nfs/dbraw/zinc/19/91/65/333199165.db2.gz HQIBGZDQTATTPM-PWSUYJOCSA-N 1 1 287.234 3.738 10 0 CHAEMO Cc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000236000705 333372857 /nfs/dbraw/zinc/37/28/57/333372857.db2.gz KAHOWODVHWFFNT-NVXWUHKLSA-N 1 1 293.838 3.775 10 0 CHAEMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1)C(C)C ZINC000133261771 334031836 /nfs/dbraw/zinc/03/18/36/334031836.db2.gz LPENNXJLUMGULT-HNNXBMFYSA-N 1 1 290.451 3.691 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3[nH]2)cc1F ZINC000136752906 334163204 /nfs/dbraw/zinc/16/32/04/334163204.db2.gz MBISJRMOUQWJGQ-GFCCVEGCSA-N 1 1 283.350 3.861 10 0 CHAEMO CCC[C@H](C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000245840998 334221293 /nfs/dbraw/zinc/22/12/93/334221293.db2.gz JWBCMBCFBKLVPI-QZTJIDSGSA-N 1 1 297.446 3.793 10 0 CHAEMO CC[N@@H+](Cc1nccn1C(C)C)[C@@H]1CCCC[C@H]1C ZINC000249374285 334332740 /nfs/dbraw/zinc/33/27/40/334332740.db2.gz NUGBIHUOHLCFRK-HUUCEWRRSA-N 1 1 263.429 3.865 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@@H+](CC3CCCC3)C2)n1 ZINC000195441137 336053716 /nfs/dbraw/zinc/05/37/16/336053716.db2.gz IEICSBXCSLIANF-CQSZACIVSA-N 1 1 264.438 3.821 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCC1=CCCCC1)CC2 ZINC000385153868 336141060 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CCCCN(CCCC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020484804 171224204 /nfs/dbraw/zinc/22/42/04/171224204.db2.gz YGBNWBSVURBWAB-MRXNPFEDSA-N 1 1 266.404 3.728 10 0 CHAEMO CCCCCC[C@H](CN)[N@@H+](CC)C1CCCCC1 ZINC000020520586 171234152 /nfs/dbraw/zinc/23/41/52/171234152.db2.gz CZSZOKHLMUHLBI-MRXNPFEDSA-N 1 1 254.462 3.939 10 0 CHAEMO CC(C)[N@@H+](C)[C@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000020549459 171246270 /nfs/dbraw/zinc/24/62/70/171246270.db2.gz MLGFRAHQHRQJEL-RBUKOAKNSA-N 1 1 282.431 3.638 10 0 CHAEMO CC(C)N(C)[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020549459 171246272 /nfs/dbraw/zinc/24/62/72/171246272.db2.gz MLGFRAHQHRQJEL-RBUKOAKNSA-N 1 1 282.431 3.638 10 0 CHAEMO CC[N@@H+](C[C@H](N)c1cc(C)ccc1C)C1CCCCC1 ZINC000020554767 171249553 /nfs/dbraw/zinc/24/95/53/171249553.db2.gz JWMDBWQVLSGPCO-SFHVURJKSA-N 1 1 274.452 3.958 10 0 CHAEMO CCC[C@@H](NC[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000020564569 171253502 /nfs/dbraw/zinc/25/35/02/171253502.db2.gz FJQQWVGIODCIIV-IAGOWNOFSA-N 1 1 262.441 3.704 10 0 CHAEMO CCC[C@H](NC[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000020564567 171253580 /nfs/dbraw/zinc/25/35/80/171253580.db2.gz FJQQWVGIODCIIV-IRXDYDNUSA-N 1 1 262.441 3.704 10 0 CHAEMO Cc1ccc(F)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595897 171264423 /nfs/dbraw/zinc/26/44/23/171264423.db2.gz OPLZCLRTNLIBKN-KRWDZBQOSA-N 1 1 284.378 3.821 10 0 CHAEMO [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1N1CCCCCC1 ZINC000021039162 171292781 /nfs/dbraw/zinc/29/27/81/171292781.db2.gz HRTQGENBYQAFPX-BZSNNMDCSA-N 1 1 272.436 3.526 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](CN)c2ccc(C(C)(C)C)cc2)C1 ZINC000021517886 171313906 /nfs/dbraw/zinc/31/39/06/171313906.db2.gz RWOPBQVSYOELFC-DAYGRLMNSA-N 1 1 288.479 3.962 10 0 CHAEMO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000021517886 171313907 /nfs/dbraw/zinc/31/39/07/171313907.db2.gz RWOPBQVSYOELFC-DAYGRLMNSA-N 1 1 288.479 3.962 10 0 CHAEMO Fc1cc(F)cc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000021782184 171322001 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ZINC000035219789 172061283 /nfs/dbraw/zinc/06/12/83/172061283.db2.gz YRDUJMNPDKYJRC-RHSMWYFYSA-N 1 1 260.425 3.648 10 0 CHAEMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000035255587 172085098 /nfs/dbraw/zinc/08/50/98/172085098.db2.gz KSBJTQRQTMQUIC-GFCCVEGCSA-N 1 1 263.381 3.518 10 0 CHAEMO C[NH2+][C@@H](c1ccc(F)cc1)c1c(F)cc(F)cc1F ZINC000035469562 172221148 /nfs/dbraw/zinc/22/11/48/172221148.db2.gz YTHJQEWMFSTKCG-AWEZNQCLSA-N 1 1 269.241 3.552 10 0 CHAEMO CC[NH2+][C@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000035539985 172246503 /nfs/dbraw/zinc/24/65/03/172246503.db2.gz CFWPZIMMTKKMIA-OAHLLOKOSA-N 1 1 265.278 3.803 10 0 CHAEMO CC[NH2+][C@@H](c1ccc(C)o1)c1cc(F)ccc1F ZINC000035543378 172251181 /nfs/dbraw/zinc/25/11/81/172251181.db2.gz GOLGVMJROFYRJS-CQSZACIVSA-N 1 1 251.276 3.565 10 0 CHAEMO CC(C)C[C@H]1C[N@H+](Cc2ccccc2)[C@H](C(C)C)CN1 ZINC000035565306 172264790 /nfs/dbraw/zinc/26/47/90/172264790.db2.gz NQWRSIHHMWCWNV-ROUUACIJSA-N 1 1 274.452 3.531 10 0 CHAEMO CC(C)C[C@H]1C[N@@H+](Cc2ccccc2)[C@H](C(C)C)CN1 ZINC000035565306 172264791 /nfs/dbraw/zinc/26/47/91/172264791.db2.gz NQWRSIHHMWCWNV-ROUUACIJSA-N 1 1 274.452 3.531 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000035738858 172392742 /nfs/dbraw/zinc/39/27/42/172392742.db2.gz NYCZWGNTBCYXDK-VHSXEESVSA-N 1 1 251.276 3.970 10 0 CHAEMO CC[C@@H](C(=O)c1ccccc1)[N@@H+](C)C1CCCCC1 ZINC000037333184 173134591 /nfs/dbraw/zinc/13/45/91/173134591.db2.gz PNXZVTCPFIWGFT-INIZCTEOSA-N 1 1 259.393 3.912 10 0 CHAEMO CCC[N@@H+](C(C)C)[C@@H](C)C(=O)c1ccc(CC)cc1 ZINC000037335224 173136825 /nfs/dbraw/zinc/13/68/25/173136825.db2.gz STWPXDCTGKDXLZ-AWEZNQCLSA-N 1 1 261.409 3.941 10 0 CHAEMO Cc1ccc(C)c(C(=O)[C@H](C)[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000037339080 173140328 /nfs/dbraw/zinc/14/03/28/173140328.db2.gz DKPAIKZVSORDKK-GJZGRUSLSA-N 1 1 261.409 3.851 10 0 CHAEMO CC[C@@H](C(=O)c1ccccc1)n1cc[nH+]c1C(C)C ZINC000037340462 173142139 /nfs/dbraw/zinc/14/21/39/173142139.db2.gz BQQRBNMAIMXXTK-AWEZNQCLSA-N 1 1 256.349 3.841 10 0 CHAEMO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032633 174028196 /nfs/dbraw/zinc/02/81/96/174028196.db2.gz UBEFWMWDFRWMJK-LRDDRELGSA-N 1 1 282.387 3.544 10 0 CHAEMO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032643 174029272 /nfs/dbraw/zinc/02/92/72/174029272.db2.gz CNDMXSQLZPUGBR-NSHDSACASA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@@H](c1c(F)cccc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032643 174029274 /nfs/dbraw/zinc/02/92/74/174029274.db2.gz CNDMXSQLZPUGBR-NSHDSACASA-N 1 1 288.341 3.666 10 0 CHAEMO Nc1ccc[nH+]c1NCc1ccc(Cl)cc1Cl ZINC000038549200 174145902 /nfs/dbraw/zinc/14/59/02/174145902.db2.gz RDEXRMICUXECCG-UHFFFAOYSA-N 1 1 268.147 3.583 10 0 CHAEMO CCC[NH+](CCC)c1ccc(N)c(C(F)(F)F)c1 ZINC000040162536 174197001 /nfs/dbraw/zinc/19/70/01/174197001.db2.gz IUQSZQXITLURPN-UHFFFAOYSA-N 1 1 260.303 3.914 10 0 CHAEMO C[N@@H+](CC[C@@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000041144843 174495703 /nfs/dbraw/zinc/49/57/03/174495703.db2.gz DVHWJTDEFICKGF-MRXNPFEDSA-N 1 1 265.372 3.514 10 0 CHAEMO CCCc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000044116270 175141529 /nfs/dbraw/zinc/14/15/29/175141529.db2.gz MSBFLZQOHFBJSC-YOEHRIQHSA-N 1 1 261.409 3.547 10 0 CHAEMO CCc1ccc([C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000044120663 175142851 /nfs/dbraw/zinc/14/28/51/175142851.db2.gz KZGALZMSXJTWJP-KRWDZBQOSA-N 1 1 261.409 3.547 10 0 CHAEMO Cc1ccc2oc([C@@H]([NH3+])c3cccc(F)c3)cc2c1 ZINC000071406788 176156294 /nfs/dbraw/zinc/15/62/94/176156294.db2.gz MXHJVXWTHAWDNY-INIZCTEOSA-N 1 1 255.292 3.928 10 0 CHAEMO C[N@H+]1C[C@H]2CCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072112635 176317586 /nfs/dbraw/zinc/31/75/86/176317586.db2.gz RCJIOMDJRBCHJE-RISCZKNCSA-N 1 1 270.203 3.977 10 0 CHAEMO CCOc1ccc2[nH+]ccc(Nc3cccc(N)c3)c2c1 ZINC000072237242 176346316 /nfs/dbraw/zinc/34/63/16/176346316.db2.gz GTDPNDJQMDUFHV-UHFFFAOYSA-N 1 1 279.343 3.959 10 0 CHAEMO CC[N@@H+](CC[C@@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000076565515 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CCc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)o1 ZINC000163873840 261333007 /nfs/dbraw/zinc/33/30/07/261333007.db2.gz OIVMDLMGKIAXEU-PBHICJAKSA-N 1 1 286.419 3.796 10 0 CHAEMO COc1ccc(OC)c(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116290000 267136304 /nfs/dbraw/zinc/13/63/04/267136304.db2.gz AOGSLNOOMPPPOV-HNNXBMFYSA-N 1 1 287.359 3.634 10 0 CHAEMO c1coc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)c1 ZINC000116295208 267137323 /nfs/dbraw/zinc/13/73/23/267137323.db2.gz LSOWLQVGXOJLBX-QGZVFWFLSA-N 1 1 293.370 3.802 10 0 CHAEMO Cc1cccc(N[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000040671080 328015255 /nfs/dbraw/zinc/01/52/55/328015255.db2.gz SYHINSUOPOFZBD-IBGZPJMESA-N 1 1 280.415 3.724 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@H+](CCCSCC(C)C)C2)c1 ZINC000152930758 327089703 /nfs/dbraw/zinc/08/97/03/327089703.db2.gz IJTZDBMQFBAFNZ-INIZCTEOSA-N 1 1 295.496 3.608 10 0 CHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)F)cc1 ZINC000183973247 329251756 /nfs/dbraw/zinc/25/17/56/329251756.db2.gz ZXFHHUXSGHVZAG-HZPDHXFCSA-N 1 1 294.389 3.683 10 0 CHAEMO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000130775045 329627896 /nfs/dbraw/zinc/62/78/96/329627896.db2.gz AKMLLRFNLPKRSA-GJZGRUSLSA-N 1 1 298.434 3.643 10 0 CHAEMO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1C ZINC000130851529 329628990 /nfs/dbraw/zinc/62/89/90/329628990.db2.gz BCWOVARPKKVWBS-GJZGRUSLSA-N 1 1 298.434 3.643 10 0 CHAEMO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccs1 ZINC000090773346 330395835 /nfs/dbraw/zinc/39/58/35/330395835.db2.gz XRIMITVMCUFYRG-ZIAGYGMSSA-N 1 1 266.454 3.519 10 0 CHAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccs1 ZINC000090773346 330395836 /nfs/dbraw/zinc/39/58/36/330395836.db2.gz XRIMITVMCUFYRG-ZIAGYGMSSA-N 1 1 266.454 3.519 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000311332373 333067402 /nfs/dbraw/zinc/06/74/02/333067402.db2.gz IJTKRMVJOKLECI-IKGGRYGDSA-N 1 1 263.425 3.502 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC000311901567 333074155 /nfs/dbraw/zinc/07/41/55/333074155.db2.gz YFSVWBGZTMFSLP-IXDOHACOSA-N 1 1 265.441 3.582 10 0 CHAEMO C[C@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CCS1 ZINC000185509028 333142248 /nfs/dbraw/zinc/14/22/48/333142248.db2.gz XERJZJIBRFBNMS-UNXYVOJBSA-N 1 1 281.387 3.792 10 0 CHAEMO c1cc(C2CC[NH+](CCCCc3ccccc3)CC2)[nH]n1 ZINC000186913522 333166486 /nfs/dbraw/zinc/16/64/86/333166486.db2.gz NPBWRTJFZNXKKR-UHFFFAOYSA-N 1 1 283.419 3.612 10 0 CHAEMO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@H](CCO)C1 ZINC000227568601 333285953 /nfs/dbraw/zinc/28/59/53/333285953.db2.gz OLQWMIIHCKDWPI-MRXNPFEDSA-N 1 1 289.463 3.805 10 0 CHAEMO CC1(C)Cc2cccc(C[NH2+][C@@H]3COc4ccccc43)c2O1 ZINC000134269829 334086235 /nfs/dbraw/zinc/08/62/35/334086235.db2.gz GNIGTMGRVGISQD-MRXNPFEDSA-N 1 1 295.382 3.623 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)CCc3ccccc3)C2)c1 ZINC000246925285 334272027 /nfs/dbraw/zinc/27/20/27/334272027.db2.gz AOJGTKKHWJOZMR-IEBWSBKVSA-N 1 1 297.446 3.850 10 0 CHAEMO C[C@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246987486 334273394 /nfs/dbraw/zinc/27/33/94/334273394.db2.gz FVNUEDUDGRJIID-SJORKVTESA-N 1 1 295.430 3.619 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)n1 ZINC000246410729 334256783 /nfs/dbraw/zinc/25/67/83/334256783.db2.gz RGRVQQHQEPJYHL-ZIAGYGMSSA-N 1 1 287.432 3.787 10 0 CHAEMO C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247646313 334286954 /nfs/dbraw/zinc/28/69/54/334286954.db2.gz UKGJDALPLICUPN-WBMJQRKESA-N 1 1 289.810 3.972 10 0 CHAEMO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247927188 334291434 /nfs/dbraw/zinc/29/14/34/334291434.db2.gz BSKHSUUHUOTDKH-KMFMINBZSA-N 1 1 277.383 3.514 10 0 CHAEMO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248121875 334295171 /nfs/dbraw/zinc/29/51/71/334295171.db2.gz NLUOPVQNJGHPIG-SJORKVTESA-N 1 1 295.430 3.885 10 0 CHAEMO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248163781 334296233 /nfs/dbraw/zinc/29/62/33/334296233.db2.gz SPBZVUQUJGWHQE-JZXOWHBKSA-N 1 1 273.420 3.683 10 0 CHAEMO Cc1ccc2cc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)ccc2n1 ZINC000249200125 334330133 /nfs/dbraw/zinc/33/01/33/334330133.db2.gz SPACODFRJLEBNE-RTBURBONSA-N 1 1 296.414 3.687 10 0 CHAEMO CN1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250699486 334348624 /nfs/dbraw/zinc/34/86/24/334348624.db2.gz NMMNPHPFCPUCTR-BZUAXINKSA-N 1 1 266.473 3.523 10 0 CHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2ccccc21 ZINC000252673117 334384797 /nfs/dbraw/zinc/38/47/97/334384797.db2.gz GJIRDZASNGGNPO-QAPCUYQASA-N 1 1 280.415 3.508 10 0 CHAEMO CCCC1CC[NH+]([C@@H](c2ccsc2)[C@H](C)N)CC1 ZINC000050893032 519903447 /nfs/dbraw/zinc/90/34/47/519903447.db2.gz JFVQVPDFYQRLSO-SWLSCSKDSA-N 1 1 266.454 3.649 10 0 CHAEMO CCC[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1C1CCCC1 ZINC000052517350 519919967 /nfs/dbraw/zinc/91/99/67/519919967.db2.gz PKLXRJMBGFNJTJ-SJORKVTESA-N 1 1 266.473 3.665 10 0 CHAEMO C(=C\c1ccccc1)\C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000255732016 518375157 /nfs/dbraw/zinc/37/51/57/518375157.db2.gz XLNKBWSXKCPDQK-SKHCZCESSA-N 1 1 267.376 3.650 10 0 CHAEMO CC(C)CN(CC(C)C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052484799 519713536 /nfs/dbraw/zinc/71/35/36/519713536.db2.gz TZDJYGWRWKXAOY-INIZCTEOSA-N 1 1 256.478 3.623 10 0 CHAEMO CC(C)[NH2+]CC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC000052346423 519722039 /nfs/dbraw/zinc/72/20/39/519722039.db2.gz LDBGTUXUTUPHJO-ZDUSSCGKSA-N 1 1 268.832 3.548 10 0 CHAEMO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000139043563 519840005 /nfs/dbraw/zinc/84/00/05/519840005.db2.gz UKWSKWZCENOIKS-QWHCGFSZSA-N 1 1 257.381 3.945 10 0 CHAEMO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)s1 ZINC000054628465 519908512 /nfs/dbraw/zinc/90/85/12/519908512.db2.gz OACYJJQWPXAHGI-GOOCMWNKSA-N 1 1 278.465 3.552 10 0 CHAEMO CCCNC[C@@H](C(C)C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517350 519919965 /nfs/dbraw/zinc/91/99/65/519919965.db2.gz PKLXRJMBGFNJTJ-SJORKVTESA-N 1 1 266.473 3.665 10 0 CHAEMO CCCCCC[N@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000062705135 520077892 /nfs/dbraw/zinc/07/78/92/520077892.db2.gz KZAARQQLQLLKFF-SFHVURJKSA-N 1 1 288.479 3.862 10 0 CHAEMO CCCCCCN1CC(C)(C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062705135 520077896 /nfs/dbraw/zinc/07/78/96/520077896.db2.gz KZAARQQLQLLKFF-SFHVURJKSA-N 1 1 288.479 3.862 10 0 CHAEMO CCCCCC[N@H+]1CC(C)(C)NC[C@H]1Cc1ccccc1 ZINC000062705138 520078041 /nfs/dbraw/zinc/07/80/41/520078041.db2.gz KZAARQQLQLLKFF-GOSISDBHSA-N 1 1 288.479 3.862 10 0 CHAEMO CCCCCCN1CC(C)(C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000062705138 520078047 /nfs/dbraw/zinc/07/80/47/520078047.db2.gz KZAARQQLQLLKFF-GOSISDBHSA-N 1 1 288.479 3.862 10 0 CHAEMO CCCNc1ncccc1C[N@@H+](CCC)CC1CC1 ZINC000052725482 520193825 /nfs/dbraw/zinc/19/38/25/520193825.db2.gz UPQZNYXRTRNSEO-UHFFFAOYSA-N 1 1 261.413 3.526 10 0 CHAEMO CCC(=O)CC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000190251030 521074171 /nfs/dbraw/zinc/07/41/71/521074171.db2.gz ZLIGVLZKHZAKFJ-CYBMUJFWSA-N 1 1 294.464 3.815 10 0 CHAEMO CCCCc1nc(Cl)c(C[NH2+][C@H](C)c2cccnc2)[nH]1 ZINC000088398765 521304876 /nfs/dbraw/zinc/30/48/76/521304876.db2.gz 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/nfs/dbraw/zinc/57/39/36/329573936.db2.gz QWZXDWJYDVFYLP-YUMQZZPRSA-N 1 1 255.774 3.536 10 0 CHAEMO CC[C@H]([NH2+][C@H]1CCCN[C@@H]1C)c1ccc(Cl)cc1 ZINC000396715221 330224263 /nfs/dbraw/zinc/22/42/63/330224263.db2.gz RBOHUFNVNFINDO-UGFHNGPFSA-N 1 1 266.816 3.521 10 0 CHAEMO Fc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1Br ZINC000533081725 330331755 /nfs/dbraw/zinc/33/17/55/330331755.db2.gz QORJVQIPEJJORF-GXFFZTMASA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1Br ZINC000533081725 330331756 /nfs/dbraw/zinc/33/17/56/330331756.db2.gz QORJVQIPEJJORF-GXFFZTMASA-N 1 1 284.172 3.573 10 0 CHAEMO Cc1ccoc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000153022720 330638683 /nfs/dbraw/zinc/63/86/83/330638683.db2.gz YARFJZKDIIKERL-AWEZNQCLSA-N 1 1 271.360 3.980 10 0 CHAEMO c1coc([C@@H]2CCCC[N@H+]2Cc2cnc(C3CC3)nc2)c1 ZINC000459358892 331278035 /nfs/dbraw/zinc/27/80/35/331278035.db2.gz XJOJVYLJYPKKIK-HNNXBMFYSA-N 1 1 283.375 3.674 10 0 CHAEMO c1coc([C@@H]2CCCC[N@@H+]2Cc2cnc(C3CC3)nc2)c1 ZINC000459358892 331278036 /nfs/dbraw/zinc/27/80/36/331278036.db2.gz XJOJVYLJYPKKIK-HNNXBMFYSA-N 1 1 283.375 3.674 10 0 CHAEMO C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000251989399 334372574 /nfs/dbraw/zinc/37/25/74/334372574.db2.gz ZERXMOYVNBOSDR-JEWRLFTDSA-N 1 1 284.447 3.841 10 0 CHAEMO C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000251989399 334372575 /nfs/dbraw/zinc/37/25/75/334372575.db2.gz ZERXMOYVNBOSDR-JEWRLFTDSA-N 1 1 284.447 3.841 10 0 CHAEMO CCc1cccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000189220910 333186200 /nfs/dbraw/zinc/18/62/00/333186200.db2.gz NLQMINAERBVYME-GOSISDBHSA-N 1 1 283.419 3.591 10 0 CHAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCOCC(F)F)o1 ZINC000189391552 333191714 /nfs/dbraw/zinc/19/17/14/333191714.db2.gz QGXZUBKUOSGGBB-CYBMUJFWSA-N 1 1 287.350 3.651 10 0 CHAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1cccc(F)c1F ZINC000224983991 333228302 /nfs/dbraw/zinc/22/83/02/333228302.db2.gz GCEKWJGGOLWWGW-QWHCGFSZSA-N 1 1 284.394 3.592 10 0 CHAEMO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@@H](CCO)C1 ZINC000227568594 333285934 /nfs/dbraw/zinc/28/59/34/333285934.db2.gz OLQWMIIHCKDWPI-INIZCTEOSA-N 1 1 289.463 3.805 10 0 CHAEMO C[C@@H](c1ccccc1)[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230003308 333312222 /nfs/dbraw/zinc/31/22/22/333312222.db2.gz OCHRXKDKDSHCKJ-INIZCTEOSA-N 1 1 268.404 3.599 10 0 CHAEMO C[C@@H](c1ccccc1)N(CCC[NH3+])Cc1ccccc1 ZINC000230003308 333312224 /nfs/dbraw/zinc/31/22/24/333312224.db2.gz OCHRXKDKDSHCKJ-INIZCTEOSA-N 1 1 268.404 3.599 10 0 CHAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000246138717 334235983 /nfs/dbraw/zinc/23/59/83/334235983.db2.gz NJFMGKZONQSLSR-IAGOWNOFSA-N 1 1 295.430 3.885 10 0 CHAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000247884276 334291213 /nfs/dbraw/zinc/29/12/13/334291213.db2.gz CLRRQAHUTUFNOB-OFQRWUPVSA-N 1 1 286.419 3.812 10 0 CHAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000247884276 334291215 /nfs/dbraw/zinc/29/12/15/334291215.db2.gz CLRRQAHUTUFNOB-OFQRWUPVSA-N 1 1 286.419 3.812 10 0 CHAEMO C[C@H](c1ccccc1F)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247998129 334293250 /nfs/dbraw/zinc/29/32/50/334293250.db2.gz KBEBOAQRMLWNKB-KEYYUXOJSA-N 1 1 277.383 3.514 10 0 CHAEMO CC(C)c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000250577790 334346340 /nfs/dbraw/zinc/34/63/40/334346340.db2.gz PWQLQLPEGADPMP-RBUKOAKNSA-N 1 1 287.447 3.937 10 0 CHAEMO C[C@H](c1ccc(Cl)cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251512460 334362569 /nfs/dbraw/zinc/36/25/69/334362569.db2.gz ITVXQRNLXRCRSO-YPMHNXCESA-N 1 1 299.245 3.834 10 0 CHAEMO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000252212753 334377082 /nfs/dbraw/zinc/37/70/82/334377082.db2.gz YNCOSWVPXLTNBB-DFBGVHRSSA-N 1 1 269.344 3.626 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC000177088756 335358567 /nfs/dbraw/zinc/35/85/67/335358567.db2.gz RGRVQQHQEPJYHL-UONOGXRCSA-N 1 1 287.432 3.787 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC000385264287 336143267 /nfs/dbraw/zinc/14/32/67/336143267.db2.gz YYZTWSDTRLDPPC-FGTMMUONSA-N 1 1 277.452 3.892 10 0 CHAEMO CC(C)C[NH2+]C[C@H](C)CN(C)[C@@H](C)c1cccs1 ZINC000052506533 519745532 /nfs/dbraw/zinc/74/55/32/519745532.db2.gz HOVZQTZRJFZGDP-KBPBESRZSA-N 1 1 268.470 3.623 10 0 CHAEMO CC(C)[C@@H](C[NH+](C)C)N[C@@H](C)c1ccccc1Cl ZINC000049195599 519793991 /nfs/dbraw/zinc/79/39/91/519793991.db2.gz CBLWCSKXTABELY-SWLSCSKDSA-N 1 1 268.832 3.577 10 0 CHAEMO CC(C)C[C@@H]1CNC(C)(C)C[N@H+]1CCCc1ccccc1 ZINC000062705131 519270494 /nfs/dbraw/zinc/27/04/94/519270494.db2.gz CXWRAKUTBGJCNQ-GOSISDBHSA-N 1 1 288.479 3.718 10 0 CHAEMO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000138969819 519763617 /nfs/dbraw/zinc/76/36/17/519763617.db2.gz AAIOJBBRJLBBHR-KGLIPLIRSA-N 1 1 287.407 3.856 10 0 CHAEMO CCC[N@H+]1C[C@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062671215 519864659 /nfs/dbraw/zinc/86/46/59/519864659.db2.gz FMOQCAAHMQYKFB-RTBURBONSA-N 1 1 280.415 3.784 10 0 CHAEMO CCCCCC[N@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000062625629 520077654 /nfs/dbraw/zinc/07/76/54/520077654.db2.gz FUVYHBJXELWQFN-OAHLLOKOSA-N 1 1 254.462 3.665 10 0 CHAEMO CCCNc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2C)n1 ZINC000061630654 520162264 /nfs/dbraw/zinc/16/22/64/520162264.db2.gz NOHNZZMPPYBPFU-LBPRGKRZSA-N 1 1 281.831 3.931 10 0 CHAEMO CCCCC[N@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000062657455 520180996 /nfs/dbraw/zinc/18/09/96/520180996.db2.gz RXNINXYFXIHLDD-INIZCTEOSA-N 1 1 260.425 3.602 10 0 CHAEMO CCCCCN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000062657455 520181006 /nfs/dbraw/zinc/18/10/06/520181006.db2.gz RXNINXYFXIHLDD-INIZCTEOSA-N 1 1 260.425 3.602 10 0 CHAEMO CC1(C)C[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)CN1 ZINC000062671214 520482733 /nfs/dbraw/zinc/48/27/33/520482733.db2.gz XYQFTPQKBPBGCL-GOSISDBHSA-N 1 1 280.415 3.612 10 0 CHAEMO CC1(C)C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)CN1 ZINC000062671214 520482737 /nfs/dbraw/zinc/48/27/37/520482737.db2.gz XYQFTPQKBPBGCL-GOSISDBHSA-N 1 1 280.415 3.612 10 0 CHAEMO CC[N@@H+]([C@H](CC(N)=S)c1ccccc1)C1CCCC1 ZINC000055024683 521476807 /nfs/dbraw/zinc/47/68/07/521476807.db2.gz VWFHQJGFMVYNPS-OAHLLOKOSA-N 1 1 276.449 3.668 10 0 CHAEMO Cc1ncc(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)o1 ZINC000335281525 534744715 /nfs/dbraw/zinc/74/47/15/534744715.db2.gz SVWOVHPYHHRYSF-INIZCTEOSA-N 1 1 286.375 3.603 10 0 CHAEMO CCc1ccc([C@@H](C)[NH2+]Cc2csc(C)n2)cc1 ZINC000035009847 524026821 /nfs/dbraw/zinc/02/68/21/524026821.db2.gz YEOQDVSRFQMFAX-LLVKDONJSA-N 1 1 260.406 3.865 10 0 CHAEMO Cc1ccc(C[N@@H+]2CC(C)(C)NC[C@H]2CC(C)C)cc1 ZINC000062668203 524434289 /nfs/dbraw/zinc/43/42/89/524434289.db2.gz UBQRDURYKIEKCZ-QGZVFWFLSA-N 1 1 274.452 3.594 10 0 CHAEMO Cc1ccc(CN2CC(C)(C)[NH2+]C[C@H]2CC(C)C)cc1 ZINC000062668203 524434297 /nfs/dbraw/zinc/43/42/97/524434297.db2.gz UBQRDURYKIEKCZ-QGZVFWFLSA-N 1 1 274.452 3.594 10 0 CHAEMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C(C)(C)CN1 ZINC000062668185 524616130 /nfs/dbraw/zinc/61/61/30/524616130.db2.gz OBFBRPBVDZDWEY-AWEZNQCLSA-N 1 1 274.452 3.556 10 0 CHAEMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C(C)(C)CN1 ZINC000062668185 524616134 /nfs/dbraw/zinc/61/61/34/524616134.db2.gz OBFBRPBVDZDWEY-AWEZNQCLSA-N 1 1 274.452 3.556 10 0 CHAEMO Cc1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)[nH+]1 ZINC000156981783 524699103 /nfs/dbraw/zinc/69/91/03/524699103.db2.gz RYUYABDHZKVENL-QWRGUYRKSA-N 1 1 258.287 3.923 10 0 CHAEMO Cc1cc(N)c[nH+]c1Nc1ccc(F)c(Cl)c1 ZINC000052812548 525041373 /nfs/dbraw/zinc/04/13/73/525041373.db2.gz PIOSLYNLLBGRHR-UHFFFAOYSA-N 1 1 251.692 3.508 10 0 CHAEMO C[C@H](Nc1ccc(N)[nH+]c1)c1ccc(Br)cc1 ZINC000049525075 525656382 /nfs/dbraw/zinc/65/63/82/525656382.db2.gz IFVVDOCKRIERPH-VIFPVBQESA-N 1 1 292.180 3.599 10 0 CHAEMO Cc1ccc([C@@H](C)[N@H+]2Cc3cccc(N)c3C2)s1 ZINC000049185845 525691591 /nfs/dbraw/zinc/69/15/91/525691591.db2.gz ATMUQAPUEHJYBK-LLVKDONJSA-N 1 1 258.390 3.716 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C)o1 ZINC000036960061 525748084 /nfs/dbraw/zinc/74/80/84/525748084.db2.gz MXKNQMICFDXBML-CHWSQXEVSA-N 1 1 283.375 3.887 10 0 CHAEMO Cc1ccc2nc(S[C@H](C[NH3+])c3cccs3)[nH]c2c1 ZINC000061440011 526256380 /nfs/dbraw/zinc/25/63/80/526256380.db2.gz UKFVBTNJPGEVMJ-CYBMUJFWSA-N 1 1 289.429 3.725 10 0 CHAEMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1F ZINC000157001984 526384726 /nfs/dbraw/zinc/38/47/26/526384726.db2.gz VYFJAQZBUSTJDA-GFCCVEGCSA-N 1 1 294.370 3.801 10 0 CHAEMO c1csc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000157015281 526588181 /nfs/dbraw/zinc/58/81/81/526588181.db2.gz YKOVUUYUGVCSBR-AWEZNQCLSA-N 1 1 258.390 3.523 10 0 CHAEMO Cc1nc(-c2ccccc2Cl)[nH+]c(NN)c1C(C)C ZINC000061688988 526606736 /nfs/dbraw/zinc/60/67/36/526606736.db2.gz QPLMSJIWVKIGFC-UHFFFAOYSA-N 1 1 276.771 3.514 10 0 CHAEMO C[C@@H]1CCC[N@@H+](Cc2cc(N)ccc2Br)[C@@H]1C ZINC000128393136 567034965 /nfs/dbraw/zinc/03/49/65/567034965.db2.gz BHDGEMDZBJDLGD-GHMZBOCLSA-N 1 1 297.240 3.652 10 0 CHAEMO Nc1ccccc1SC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000216609773 570305931 /nfs/dbraw/zinc/30/59/31/570305931.db2.gz MPRLHELMLFULGS-HIFRSBDPSA-N 1 1 276.449 3.625 10 0 CHAEMO c1csc([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000195348972 1125565154 /nfs/dbraw/zinc/56/51/54/1125565154.db2.gz QKKVBMKBLKCKHZ-HNNXBMFYSA-N 1 1 272.417 3.565 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2)cs1 ZINC000189805412 1126935286 /nfs/dbraw/zinc/93/52/86/1126935286.db2.gz RDEMPYBKXKGYLQ-INIZCTEOSA-N 1 1 288.416 3.667 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2)cs1 ZINC000189805412 1126935288 /nfs/dbraw/zinc/93/52/88/1126935288.db2.gz RDEMPYBKXKGYLQ-INIZCTEOSA-N 1 1 288.416 3.667 10 0 CHAEMO CC1(C)CCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000103228241 1123783389 /nfs/dbraw/zinc/78/33/89/1123783389.db2.gz NUMFEBIDNAPROR-UHFFFAOYSA-N 1 1 292.329 3.994 10 0 CHAEMO O[C@@H](C[N@@H+](C1CC1)C1CCCC1)c1ccccc1Cl ZINC000103466205 1129765831 /nfs/dbraw/zinc/76/58/31/1129765831.db2.gz GKJBINWFZUTHHX-INIZCTEOSA-N 1 1 279.811 3.780 10 0 CHAEMO Cc1cc(N)c2cc[nH+]c(NCc3ccccc3)c2c1 ZINC000082754100 178278627 /nfs/dbraw/zinc/27/86/27/178278627.db2.gz UENDARMXJFQTKA-UHFFFAOYSA-N 1 1 263.344 3.738 10 0 CHAEMO CCn1c(N)c(-c2ccccc2)[nH+]c1C1CCCC1 ZINC000103502552 185846642 /nfs/dbraw/zinc/84/66/42/185846642.db2.gz MANFZBZDZKFCIA-UHFFFAOYSA-N 1 1 255.365 3.810 10 0 CHAEMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c(C)s1 ZINC000020121847 171001108 /nfs/dbraw/zinc/00/11/08/171001108.db2.gz KGYNSRWARFVZSW-NXEZZACHSA-N 1 1 261.394 3.567 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)o1 ZINC000020129378 171017578 /nfs/dbraw/zinc/01/75/78/171017578.db2.gz QLXXLFYRPMZDCK-ZBFHGGJFSA-N 1 1 272.392 3.542 10 0 CHAEMO Cc1ccccc1[C@H](C)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000020129397 171017872 /nfs/dbraw/zinc/01/78/72/171017872.db2.gz OOEMEKRRCOTUKZ-QFBILLFUSA-N 1 1 282.431 3.949 10 0 CHAEMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129412 171017975 /nfs/dbraw/zinc/01/79/75/171017975.db2.gz PJAKJJLRVNLEOH-KDOFPFPSSA-N 1 1 286.394 3.779 10 0 CHAEMO Cc1ccccc1[C@@H](CN)[N@@H+](C)CC1CCCCC1 ZINC000020225469 171088519 /nfs/dbraw/zinc/08/85/19/171088519.db2.gz PNEAQVJGMITZDM-QGZVFWFLSA-N 1 1 260.425 3.507 10 0 CHAEMO Cc1ccccc1[C@@H](C[NH3+])N(C)CC1CCCCC1 ZINC000020225469 171088520 /nfs/dbraw/zinc/08/85/20/171088520.db2.gz PNEAQVJGMITZDM-QGZVFWFLSA-N 1 1 260.425 3.507 10 0 CHAEMO CC(C)c1ccc([C@@H](CN)[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226076 171090117 /nfs/dbraw/zinc/09/01/17/171090117.db2.gz RFVQYEDVRFEDBX-MRXNPFEDSA-N 1 1 262.441 3.788 10 0 CHAEMO CC(C)c1ccc([C@@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226076 171090118 /nfs/dbraw/zinc/09/01/18/171090118.db2.gz RFVQYEDVRFEDBX-MRXNPFEDSA-N 1 1 262.441 3.788 10 0 CHAEMO Cc1c(Cl)cccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523834 171236356 /nfs/dbraw/zinc/23/63/56/171236356.db2.gz MAJOGZIVCYHPMH-YHWZYXNKSA-N 1 1 264.800 3.686 10 0 CHAEMO CC(C)Oc1ccc([C@H]([NH3+])CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020553215 171248993 /nfs/dbraw/zinc/24/89/93/171248993.db2.gz HKIMEISSRDVBIU-RLFYNMQTSA-N 1 1 290.451 3.737 10 0 CHAEMO CC[N@H+]([C@@H](CN)c1ccccc1Cl)C1CCCCC1 ZINC000020559711 171251520 /nfs/dbraw/zinc/25/15/20/171251520.db2.gz XAZWGJFOEORAGA-INIZCTEOSA-N 1 1 280.843 3.994 10 0 CHAEMO CC[N@@H+]([C@@H](CN)c1ccccc1Cl)C1CCCCC1 ZINC000020559711 171251521 /nfs/dbraw/zinc/25/15/21/171251521.db2.gz XAZWGJFOEORAGA-INIZCTEOSA-N 1 1 280.843 3.994 10 0 CHAEMO Cc1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595942 171264329 /nfs/dbraw/zinc/26/43/29/171264329.db2.gz IEUMFIFJJVMKNA-KRWDZBQOSA-N 1 1 266.388 3.681 10 0 CHAEMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020596019 171264611 /nfs/dbraw/zinc/26/46/11/171264611.db2.gz IRWCHYVCOBVZJA-INIZCTEOSA-N 1 1 284.378 3.821 10 0 CHAEMO CCN(CC)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021011456 171287381 /nfs/dbraw/zinc/28/73/81/171287381.db2.gz HCOJJWJRCZKJNJ-JKSUJKDBSA-N 1 1 254.462 3.939 10 0 CHAEMO CCN(CC)[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000021013692 171288871 /nfs/dbraw/zinc/28/88/71/171288871.db2.gz AVAKWBHVJIRYDX-OALUTQOASA-N 1 1 282.431 3.640 10 0 CHAEMO CC1CCN(C[C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)CC1 ZINC000021030337 171291544 /nfs/dbraw/zinc/29/15/44/171291544.db2.gz NOQAVMWIYQDZJE-QGZVFWFLSA-N 1 1 274.452 3.716 10 0 CHAEMO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000021501427 171305599 /nfs/dbraw/zinc/30/55/99/171305599.db2.gz HUIKTDDMKMZFBL-XHSDSOJGSA-N 1 1 268.489 3.625 10 0 CHAEMO C[C@H]1CCCC[N@H+]1C1(CN)CCC(C(C)(C)C)CC1 ZINC000021504387 171307179 /nfs/dbraw/zinc/30/71/79/171307179.db2.gz MGQRSWMXIBKSOI-UQPPLGOBSA-N 1 1 266.473 3.795 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508356 171308805 /nfs/dbraw/zinc/30/88/05/171308805.db2.gz SEERTIVLJNUNCR-JONQDZQNSA-N 1 1 254.462 3.508 10 0 CHAEMO CC(C)CC[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000022147062 171357184 /nfs/dbraw/zinc/35/71/84/171357184.db2.gz OJTWBNGSFQFDTN-UHFFFAOYSA-N 1 1 266.473 3.811 10 0 CHAEMO CC[N@@H+](C[C@H](N)c1ccc(C)cc1)C1CCCCC1 ZINC000022151143 171358779 /nfs/dbraw/zinc/35/87/79/171358779.db2.gz YRMXCQHHHPBXFX-KRWDZBQOSA-N 1 1 260.425 3.649 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000022563388 171391430 /nfs/dbraw/zinc/39/14/30/171391430.db2.gz JDXZNHQWPKVTRF-RDTXWAMCSA-N 1 1 268.404 3.714 10 0 CHAEMO C[C@@H]1CCCCN1C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000022563388 171391432 /nfs/dbraw/zinc/39/14/32/171391432.db2.gz JDXZNHQWPKVTRF-RDTXWAMCSA-N 1 1 268.404 3.714 10 0 CHAEMO CCC(CC)[N@@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000035230315 172070922 /nfs/dbraw/zinc/07/09/22/172070922.db2.gz YKQYHYMVLCDHAT-UHFFFAOYSA-N 1 1 263.381 3.518 10 0 CHAEMO C[NH2+][C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000035468615 172217866 /nfs/dbraw/zinc/21/78/66/172217866.db2.gz DVOXBDPOGPAMSG-CQSZACIVSA-N 1 1 267.706 3.927 10 0 CHAEMO CC[C@H](O)C[N@@H+](CCC(C)C)Cc1ccccc1C ZINC000035718237 172372072 /nfs/dbraw/zinc/37/20/72/172372072.db2.gz UDVMNNFUZREAJM-KRWDZBQOSA-N 1 1 263.425 3.614 10 0 CHAEMO C[C@H](Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209948 173031750 /nfs/dbraw/zinc/03/17/50/173031750.db2.gz XDSULGJCBDUNAP-NWDGAFQWSA-N 1 1 297.240 3.591 10 0 CHAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cc(C)ccc2F)C1 ZINC000037221890 173042580 /nfs/dbraw/zinc/04/25/80/173042580.db2.gz VSPHTCUZLFYJFO-ZIAGYGMSSA-N 1 1 264.388 3.666 10 0 CHAEMO Cc1n[nH]c(C)c1N[C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000037261712 173071251 /nfs/dbraw/zinc/07/12/51/173071251.db2.gz QYLWHWOGRMQVOW-NSHDSACASA-N 1 1 258.369 3.520 10 0 CHAEMO Cc1ccc(C(=O)[C@@H](C)[N@@H+](C)C2CCCC2)cc1C ZINC000037334798 173134964 /nfs/dbraw/zinc/13/49/64/173134964.db2.gz RPCPKSCCGQUMLK-CQSZACIVSA-N 1 1 259.393 3.749 10 0 CHAEMO CCc1ccc(C(=O)[C@@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC000037336414 173137274 /nfs/dbraw/zinc/13/72/74/173137274.db2.gz LWJCPDGGPJQWFU-CQSZACIVSA-N 1 1 261.409 3.798 10 0 CHAEMO CCc1ccc(C(=O)[C@H](C)[N@H+](CC)[C@@H](C)CC)cc1 ZINC000037336733 173137390 /nfs/dbraw/zinc/13/73/90/173137390.db2.gz ZLTUJGAEXUESIG-KBPBESRZSA-N 1 1 261.409 3.941 10 0 CHAEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424966 173199202 /nfs/dbraw/zinc/19/92/02/173199202.db2.gz ZSCSCCMPOODNAE-YGRLFVJLSA-N 1 1 289.250 3.970 10 0 CHAEMO CC[N@H+](C(C)C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424865 173199190 /nfs/dbraw/zinc/19/91/90/173199190.db2.gz NFBMIRWYJNWNHA-CYBMUJFWSA-N 1 1 275.223 3.724 10 0 CHAEMO CC[N@@H+](C(C)C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424865 173199192 /nfs/dbraw/zinc/19/91/92/173199192.db2.gz NFBMIRWYJNWNHA-CYBMUJFWSA-N 1 1 275.223 3.724 10 0 CHAEMO CC(C)[C@@H](C)N(C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424966 173199204 /nfs/dbraw/zinc/19/92/04/173199204.db2.gz ZSCSCCMPOODNAE-YGRLFVJLSA-N 1 1 289.250 3.970 10 0 CHAEMO CCCC[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441150 173211058 /nfs/dbraw/zinc/21/10/58/173211058.db2.gz QLWNQLSJYKTPFH-SECBINFHSA-N 1 1 282.185 3.515 10 0 CHAEMO CCCC[C@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441148 173211259 /nfs/dbraw/zinc/21/12/59/173211259.db2.gz QLWNQLSJYKTPFH-VIFPVBQESA-N 1 1 282.185 3.515 10 0 CHAEMO C[C@H](c1cccc(F)c1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032535 174028648 /nfs/dbraw/zinc/02/86/48/174028648.db2.gz MJSXVWLLUXMCJG-GFCCVEGCSA-N 1 1 270.351 3.527 10 0 CHAEMO C[C@H](CNCc1sc2ccccc2c1Cl)[NH+](C)C ZINC000038087326 174098831 /nfs/dbraw/zinc/09/88/31/174098831.db2.gz UAWCOQWYNXYKHQ-SNVBAGLBSA-N 1 1 282.840 3.594 10 0 CHAEMO C[N@@H+]1Cc2sc(Cl)cc2[C@@H](c2ccccc2)C1 ZINC000038157541 174134516 /nfs/dbraw/zinc/13/45/16/174134516.db2.gz OGVSUHXTKAMGTR-GFCCVEGCSA-N 1 1 263.793 3.979 10 0 CHAEMO CCCc1ccc([C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113904 175141160 /nfs/dbraw/zinc/14/11/60/175141160.db2.gz UZRXQSCXKBBWCB-DAYGRLMNSA-N 1 1 275.436 3.650 10 0 CHAEMO Cc1cc(C)c([C@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000044116159 175141632 /nfs/dbraw/zinc/14/16/32/175141632.db2.gz AQIATWOQPRBFNJ-JKSUJKDBSA-N 1 1 261.409 3.520 10 0 CHAEMO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000211744815 260309176 /nfs/dbraw/zinc/30/91/76/260309176.db2.gz KOYZWFBJRCVYOW-BDJLRTHQSA-N 1 1 256.349 3.711 10 0 CHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000090224946 260456865 /nfs/dbraw/zinc/45/68/65/260456865.db2.gz RHAPBMUKPUTAKB-YOEHRIQHSA-N 1 1 298.434 3.697 10 0 CHAEMO CCCCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105852089 261317554 /nfs/dbraw/zinc/31/75/54/261317554.db2.gz SCOVOKGRDAJNTK-OAHLLOKOSA-N 1 1 291.439 3.579 10 0 CHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000106215474 261323722 /nfs/dbraw/zinc/32/37/22/261323722.db2.gz NTYQCMYQTWFPOH-QGZVFWFLSA-N 1 1 283.419 3.591 10 0 CHAEMO COc1ccc([C@H](C)Nc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000301086819 261329782 /nfs/dbraw/zinc/32/97/82/261329782.db2.gz MDHAEKHNHHOUCJ-NSHDSACASA-N 1 1 297.358 3.753 10 0 CHAEMO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164628073 261355909 /nfs/dbraw/zinc/35/59/09/261355909.db2.gz OLFVYKMATVEVGT-WMLDXEAASA-N 1 1 298.434 3.662 10 0 CHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnc(C)s2)C12CCCC2 ZINC000121240371 267586140 /nfs/dbraw/zinc/58/61/40/267586140.db2.gz DTGDTDLCRHEUGZ-GJZGRUSLSA-N 1 1 294.464 3.621 10 0 CHAEMO Cc1ccc(CN[C@@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000110974734 328322865 /nfs/dbraw/zinc/32/28/65/328322865.db2.gz QAVBFDIUXOELKE-SFHVURJKSA-N 1 1 286.394 3.527 10 0 CHAEMO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856223 328380368 /nfs/dbraw/zinc/38/03/68/328380368.db2.gz LGLQMRLJQQDCEN-XJKSGUPXSA-N 1 1 280.843 3.865 10 0 CHAEMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856223 328380369 /nfs/dbraw/zinc/38/03/69/328380369.db2.gz LGLQMRLJQQDCEN-XJKSGUPXSA-N 1 1 280.843 3.865 10 0 CHAEMO CCc1ccc([C@H](C)NCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000049856241 328380400 /nfs/dbraw/zinc/38/04/00/328380400.db2.gz LQWZTHQSZSBDBZ-YJBOKZPZSA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000049856241 328380401 /nfs/dbraw/zinc/38/04/01/328380401.db2.gz LQWZTHQSZSBDBZ-YJBOKZPZSA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000049856241 328380402 /nfs/dbraw/zinc/38/04/02/328380402.db2.gz LQWZTHQSZSBDBZ-YJBOKZPZSA-N 1 1 274.452 3.774 10 0 CHAEMO CCS[C@@H]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000230472023 328514204 /nfs/dbraw/zinc/51/42/04/328514204.db2.gz MQEBKAYVMMAFIA-WDEREUQCSA-N 1 1 261.394 3.649 10 0 CHAEMO FC(F)(F)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000255624068 327000050 /nfs/dbraw/zinc/00/00/50/327000050.db2.gz TVYQYXFWWBFECN-SMGNDMQFSA-N 1 1 269.310 3.974 10 0 CHAEMO C[NH+](C)C[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000093093298 327104436 /nfs/dbraw/zinc/10/44/36/327104436.db2.gz FFBIGGFLQFMEEO-HNNXBMFYSA-N 1 1 294.851 3.794 10 0 CHAEMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CCS1 ZINC000171691053 329078471 /nfs/dbraw/zinc/07/84/71/329078471.db2.gz XUFHCASXODWGKD-NSHDSACASA-N 1 1 292.835 3.826 10 0 CHAEMO Cc1csc([C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)n1 ZINC000171735757 329079871 /nfs/dbraw/zinc/07/98/71/329079871.db2.gz IZUMZDUNEAHKDB-KBPBESRZSA-N 1 1 262.422 3.740 10 0 CHAEMO CN(C)c1ccccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000173759520 329148126 /nfs/dbraw/zinc/14/81/26/329148126.db2.gz SHCAFHXYVPIDBV-INIZCTEOSA-N 1 1 270.376 3.683 10 0 CHAEMO c1cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c[nH]1 ZINC000180659011 329221559 /nfs/dbraw/zinc/22/15/59/329221559.db2.gz ZKEBVFDVELFPTA-UHFFFAOYSA-N 1 1 277.371 3.785 10 0 CHAEMO Cc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)o1 ZINC000188950060 329375950 /nfs/dbraw/zinc/37/59/50/329375950.db2.gz YEUYASKFABQIHS-HNNXBMFYSA-N 1 1 257.333 3.510 10 0 CHAEMO c1ccc2c(c1)CCC[C@@H]2N1CCC([NH+]2CCCC2)CC1 ZINC000066533225 329849412 /nfs/dbraw/zinc/84/94/12/329849412.db2.gz MSIUQSIQTYAPGP-IBGZPJMESA-N 1 1 284.447 3.624 10 0 CHAEMO CC[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)c1ccc(Cl)cc1 ZINC000396715215 330224384 /nfs/dbraw/zinc/22/43/84/330224384.db2.gz RBOHUFNVNFINDO-BYCMXARLSA-N 1 1 266.816 3.521 10 0 CHAEMO CCCn1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000091015885 330397936 /nfs/dbraw/zinc/39/79/36/330397936.db2.gz NHFRLVAWGKKNIU-LBPRGKRZSA-N 1 1 263.410 3.514 10 0 CHAEMO 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262.441 3.572 10 0 CHAEMO CCOc1ccccc1[C@H]([NH3+])c1cc2ccccc2o1 ZINC000020369312 171167124 /nfs/dbraw/zinc/16/71/24/171167124.db2.gz YFEWQFYJEKIOIC-KRWDZBQOSA-N 1 1 267.328 3.880 10 0 CHAEMO C[C@H](Nc1ccc(N)[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000020382025 171172660 /nfs/dbraw/zinc/17/26/60/171172660.db2.gz AMBUPIINWYUDBS-GVMDUPDNSA-N 1 1 271.408 3.681 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1CCCNc1c(N)cccc1Cl ZINC000020382945 171173444 /nfs/dbraw/zinc/17/34/44/171173444.db2.gz OQKWGIVHJORSRQ-GFCCVEGCSA-N 1 1 281.831 3.599 10 0 CHAEMO Cc1cc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c(C)o1 ZINC000020438934 171202750 /nfs/dbraw/zinc/20/27/50/171202750.db2.gz HZKCXSHVORZRFB-RDTXWAMCSA-N 1 1 286.419 3.850 10 0 CHAEMO CCCC[N@@H+](CC)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000020545038 171242868 /nfs/dbraw/zinc/24/28/68/171242868.db2.gz AJPSNXOKNIWIHN-KRWDZBQOSA-N 1 1 262.441 3.932 10 0 CHAEMO CCCCN(CC)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020545038 171242870 /nfs/dbraw/zinc/24/28/70/171242870.db2.gz 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/nfs/dbraw/zinc/24/98/61/171249861.db2.gz GRJNOFZDHXXMNA-NVXWUHKLSA-N 1 1 262.441 3.662 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)Cc1ccccc1 ZINC000020556329 171249862 /nfs/dbraw/zinc/24/98/62/171249862.db2.gz GRJNOFZDHXXMNA-NVXWUHKLSA-N 1 1 262.441 3.662 10 0 CHAEMO CCC(CC)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000020556696 171250349 /nfs/dbraw/zinc/25/03/49/171250349.db2.gz XYTMUZPTJQSSDH-UHFFFAOYSA-N 1 1 266.473 3.953 10 0 CHAEMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020596018 171264295 /nfs/dbraw/zinc/26/42/95/171264295.db2.gz IRWCHYVCOBVZJA-MRXNPFEDSA-N 1 1 284.378 3.821 10 0 CHAEMO Cc1ccc(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595938 171264571 /nfs/dbraw/zinc/26/45/71/171264571.db2.gz QKIZUUWOCPRWQT-SFHVURJKSA-N 1 1 280.415 3.990 10 0 CHAEMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000021501425 171305577 /nfs/dbraw/zinc/30/55/77/171305577.db2.gz HUIKTDDMKMZFBL-OAGGEKHMSA-N 1 1 268.489 3.625 10 0 CHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508354 171308646 /nfs/dbraw/zinc/30/86/46/171308646.db2.gz SEERTIVLJNUNCR-WCVJEAGWSA-N 1 1 254.462 3.508 10 0 CHAEMO C[N@@H+](C[C@@H](N)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000021510078 171309852 /nfs/dbraw/zinc/30/98/52/171309852.db2.gz YJZLRECMIRWTRB-CHNSHAQVSA-N 1 1 290.495 3.795 10 0 CHAEMO CC[NH+](CC)CCN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021788227 171323043 /nfs/dbraw/zinc/32/30/43/171323043.db2.gz NREJDJGTVXURCE-OAHLLOKOSA-N 1 1 276.468 3.977 10 0 CHAEMO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@H+]1Cc1ccccc1 ZINC000021983108 171344886 /nfs/dbraw/zinc/34/48/86/171344886.db2.gz ORWWEAVWTJMTDI-ZWKOTPCHSA-N 1 1 274.452 3.531 10 0 CHAEMO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccccc1 ZINC000021983108 171344888 /nfs/dbraw/zinc/34/48/88/171344888.db2.gz ORWWEAVWTJMTDI-ZWKOTPCHSA-N 1 1 274.452 3.531 10 0 CHAEMO CC[N@@H+]([C@H](CN)c1ccc(Cl)cc1)C1CCCCC1 ZINC000022151805 171358885 /nfs/dbraw/zinc/35/88/85/171358885.db2.gz XHNIKJWKUXMRMG-MRXNPFEDSA-N 1 1 280.843 3.994 10 0 CHAEMO CCN([C@H](C[NH3+])c1ccc(Cl)cc1)C1CCCCC1 ZINC000022151805 171358886 /nfs/dbraw/zinc/35/88/86/171358886.db2.gz XHNIKJWKUXMRMG-MRXNPFEDSA-N 1 1 280.843 3.994 10 0 CHAEMO C[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1ccco1 ZINC000035137105 172003937 /nfs/dbraw/zinc/00/39/37/172003937.db2.gz SPDRYVOWRRIALN-VIFPVBQESA-N 1 1 279.723 3.513 10 0 CHAEMO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccco1 ZINC000035142490 172009392 /nfs/dbraw/zinc/00/93/92/172009392.db2.gz PKZSPNTWMVRJLT-SECBINFHSA-N 1 1 253.704 3.923 10 0 CHAEMO C[N@@H+](C1CCCCC1)[C@](C)(CN)CCc1ccccc1 ZINC000035176657 172028994 /nfs/dbraw/zinc/02/89/94/172028994.db2.gz OCRGNVCLJMLELG-SFHVURJKSA-N 1 1 274.452 3.601 10 0 CHAEMO Cc1ccoc1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035382380 172165645 /nfs/dbraw/zinc/16/56/45/172165645.db2.gz IFCORKZGDSMUKC-LLVKDONJSA-N 1 1 256.132 3.943 10 0 CHAEMO C[NH2+][C@@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035501799 172236959 /nfs/dbraw/zinc/23/69/59/172236959.db2.gz RTFZCVJAFFUKBE-GFCCVEGCSA-N 1 1 256.132 3.895 10 0 CHAEMO CC[C@@H](C)[N@@H+](CC)Cc1cc(C(C)=O)ccc1OC ZINC000037315192 173116463 /nfs/dbraw/zinc/11/64/63/173116463.db2.gz AIMMJXKIWGZVGU-GFCCVEGCSA-N 1 1 263.381 3.518 10 0 CHAEMO CC(C)Oc1ccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789149 174173428 /nfs/dbraw/zinc/17/34/28/174173428.db2.gz RCKHMPKPWRLGLM-DAYGRLMNSA-N 1 1 290.451 3.737 10 0 CHAEMO CC(C)Oc1ccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789149 174173430 /nfs/dbraw/zinc/17/34/30/174173430.db2.gz RCKHMPKPWRLGLM-DAYGRLMNSA-N 1 1 290.451 3.737 10 0 CHAEMO Cc1cc(C(=O)C[N@@H+](CC(C)C)C2CC2)c(C)s1 ZINC000042558607 174794926 /nfs/dbraw/zinc/79/49/26/174794926.db2.gz KKTJQRUQINSBHA-UHFFFAOYSA-N 1 1 265.422 3.668 10 0 CHAEMO Cc1cc(C(=O)C[N@H+](CC(C)C)C2CC2)c(C)s1 ZINC000042558607 174794927 /nfs/dbraw/zinc/79/49/27/174794927.db2.gz KKTJQRUQINSBHA-UHFFFAOYSA-N 1 1 265.422 3.668 10 0 CHAEMO Cc1ccc(C)c([C@H](CN)[N@@H+](CC(C)C)C(C)C)c1 ZINC000042579520 174804389 /nfs/dbraw/zinc/80/43/89/174804389.db2.gz YKOFYZUQNRYJHW-KRWDZBQOSA-N 1 1 262.441 3.670 10 0 CHAEMO Cc1ccc2oc([C@H]([NH3+])c3cccc(F)c3)cc2c1 ZINC000071406787 176156404 /nfs/dbraw/zinc/15/64/04/176156404.db2.gz MXHJVXWTHAWDNY-MRXNPFEDSA-N 1 1 255.292 3.928 10 0 CHAEMO CCCCc1ccc([C@H]([NH3+])CN2CCCCC2)cc1 ZINC000071587058 176214093 /nfs/dbraw/zinc/21/40/93/176214093.db2.gz IDBOBJLRWXCJRH-QGZVFWFLSA-N 1 1 260.425 3.515 10 0 CHAEMO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640405 335073120 /nfs/dbraw/zinc/07/31/20/335073120.db2.gz GWRNHEXIQOGCNH-SJLPKXTDSA-N 1 1 295.430 3.967 10 0 CHAEMO Cc1cc([C@@H](C)N[C@H](CC(C)C)C[NH+](C)C)c(C)o1 ZINC000037167325 260072179 /nfs/dbraw/zinc/07/21/79/260072179.db2.gz IKVMESVNXYJLGB-UKRRQHHQSA-N 1 1 266.429 3.523 10 0 CHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000106211216 261322702 /nfs/dbraw/zinc/32/27/02/261322702.db2.gz JETSJKQSRMANJQ-GOSISDBHSA-N 1 1 297.446 3.991 10 0 CHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000106211424 261322876 /nfs/dbraw/zinc/32/28/76/261322876.db2.gz JWIJYRCDMCJHOU-WMLDXEAASA-N 1 1 283.419 3.935 10 0 CHAEMO COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000180262677 261850782 /nfs/dbraw/zinc/85/07/82/261850782.db2.gz SEGDVARPQLBIIG-RDTXWAMCSA-N 1 1 299.418 3.749 10 0 CHAEMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ncc[nH]1 ZINC000138977278 262710086 /nfs/dbraw/zinc/71/00/86/262710086.db2.gz GOWGKBABCSJTOK-CQSZACIVSA-N 1 1 277.371 3.928 10 0 CHAEMO Clc1c[nH+]ccc1N[C@@H]1CCOc2ccccc21 ZINC000094266934 265233256 /nfs/dbraw/zinc/23/32/56/265233256.db2.gz HMWKYBTVPGPSMA-GFCCVEGCSA-N 1 1 260.724 3.671 10 0 CHAEMO CCc1ccc([C@@H](C)NCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000049856243 328380442 /nfs/dbraw/zinc/38/04/42/328380442.db2.gz LQWZTHQSZSBDBZ-CRAIPNDOSA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@@H](C)NCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000049856243 328380443 /nfs/dbraw/zinc/38/04/43/328380443.db2.gz LQWZTHQSZSBDBZ-CRAIPNDOSA-N 1 1 274.452 3.774 10 0 CHAEMO CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000049856243 328380444 /nfs/dbraw/zinc/38/04/44/328380444.db2.gz LQWZTHQSZSBDBZ-CRAIPNDOSA-N 1 1 274.452 3.774 10 0 CHAEMO Cc1ccccc1[C@@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000049856251 328380184 /nfs/dbraw/zinc/38/01/84/328380184.db2.gz PPODYTVMVVTOTQ-HZPDHXFCSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1ccccc1[C@@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000049856251 328380186 /nfs/dbraw/zinc/38/01/86/328380186.db2.gz PPODYTVMVVTOTQ-HZPDHXFCSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000049856251 328380187 /nfs/dbraw/zinc/38/01/87/328380187.db2.gz PPODYTVMVVTOTQ-HZPDHXFCSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1nc([C@@H](C)Nc2[nH]c3ccccc3[nH+]2)cs1 ZINC000170543382 329067405 /nfs/dbraw/zinc/06/74/05/329067405.db2.gz OMAYWDPXHWKSER-MRVPVSSYSA-N 1 1 258.350 3.501 10 0 CHAEMO CCc1csc([C@@H]2CCC[N@@H+](CCCSC)C2)n1 ZINC000173603391 329149725 /nfs/dbraw/zinc/14/97/25/329149725.db2.gz KVHDZAQQUMHTAQ-GFCCVEGCSA-N 1 1 284.494 3.638 10 0 CHAEMO c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c[nH]1 ZINC000179974118 329213953 /nfs/dbraw/zinc/21/39/53/329213953.db2.gz UDFXZAPJPSHRAM-AWEZNQCLSA-N 1 1 281.359 3.536 10 0 CHAEMO Fc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1Br ZINC000533081727 330331726 /nfs/dbraw/zinc/33/17/26/330331726.db2.gz QORJVQIPEJJORF-ZWNOBZJWSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)cc1Br ZINC000533081727 330331727 /nfs/dbraw/zinc/33/17/27/330331727.db2.gz QORJVQIPEJJORF-ZWNOBZJWSA-N 1 1 284.172 3.573 10 0 CHAEMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cs1 ZINC000088255025 330375045 /nfs/dbraw/zinc/37/50/45/330375045.db2.gz RGDAFQBVRLNXAB-JTQLQIEISA-N 1 1 264.369 3.750 10 0 CHAEMO C[C@H]1C[C@@H]1Nc1cc[nH+]c2cc(Br)ccc12 ZINC000309812886 333049938 /nfs/dbraw/zinc/04/99/38/333049938.db2.gz UPZPEDGDULQAOD-UFBFGSQYSA-N 1 1 277.165 3.818 10 0 CHAEMO CC[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330764 333257269 /nfs/dbraw/zinc/25/72/69/333257269.db2.gz TUFFKCDQAILSQG-XNRPHZJLSA-N 1 1 280.843 3.850 10 0 CHAEMO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000132872743 334008476 /nfs/dbraw/zinc/00/84/76/334008476.db2.gz NLUOPVQNJGHPIG-IAGOWNOFSA-N 1 1 295.430 3.885 10 0 CHAEMO CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)Cc2ccccc2)C1 ZINC000080426616 334171212 /nfs/dbraw/zinc/17/12/12/334171212.db2.gz URIXOZXEBNSAFL-SJLPKXTDSA-N 1 1 274.452 3.677 10 0 CHAEMO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000249385084 334333109 /nfs/dbraw/zinc/33/31/09/334333109.db2.gz YJHKOFHEFLRGLR-DJIMGWMZSA-N 1 1 278.484 3.665 10 0 CHAEMO C[C@@H](c1ccccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251595450 334365065 /nfs/dbraw/zinc/36/50/65/334365065.db2.gz YJLFCNKGDBWGBH-KBPBESRZSA-N 1 1 278.827 3.571 10 0 CHAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccccc2)[nH]1 ZINC000088398640 521300407 /nfs/dbraw/zinc/30/04/07/521300407.db2.gz NBTNQLJHVJNRES-UHFFFAOYSA-N 1 1 277.799 3.696 10 0 CHAEMO CC(C)C[NH2+]CCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062019384 519743524 /nfs/dbraw/zinc/74/35/24/519743524.db2.gz SNXAOTNAQVXWFN-AWEZNQCLSA-N 1 1 282.859 3.969 10 0 CHAEMO CC(C)[C@@H](c1cccs1)n1c[nH+]c2cc(N)ccc21 ZINC000052854786 519801605 /nfs/dbraw/zinc/80/16/05/519801605.db2.gz TZEHVNVIISTFNH-HNNXBMFYSA-N 1 1 271.389 3.925 10 0 CHAEMO CC(C)[C@H](c1cccs1)n1c[nH+]c2cc(N)ccc21 ZINC000052854787 519824190 /nfs/dbraw/zinc/82/41/90/519824190.db2.gz TZEHVNVIISTFNH-OAHLLOKOSA-N 1 1 271.389 3.925 10 0 CHAEMO CCCC1CCC([NH2+]CC[C@H]2CCCCN2C)CC1 ZINC000052206051 519898554 /nfs/dbraw/zinc/89/85/54/519898554.db2.gz BNXUTHAWSUKDEX-OFLPRAFFSA-N 1 1 266.473 3.809 10 0 CHAEMO CCNc1ccc(Cl)c(C[N@H+]2CC[C@H](C)C[C@@H]2C)n1 ZINC000061639094 520309987 /nfs/dbraw/zinc/30/99/87/520309987.db2.gz YUVJHODTRWPSTN-RYUDHWBXSA-N 1 1 281.831 3.787 10 0 CHAEMO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000139065072 520428690 /nfs/dbraw/zinc/42/86/90/520428690.db2.gz NLHHRNLFTLLGNO-STQMWFEESA-N 1 1 273.380 3.610 10 0 CHAEMO CCC[N@@H+](CCC(=O)c1ccccc1Cl)C1CC1 ZINC000053978835 521630180 /nfs/dbraw/zinc/63/01/80/521630180.db2.gz NTKLJOMXUZQFKC-UHFFFAOYSA-N 1 1 265.784 3.787 10 0 CHAEMO CC[C@H](c1cccs1)[N@H+]1Cc2cccc(N)c2C1 ZINC000049531891 522952139 /nfs/dbraw/zinc/95/21/39/522952139.db2.gz YBCLHNGZXQEMPN-CQSZACIVSA-N 1 1 258.390 3.797 10 0 CHAEMO CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C)c2)o1 ZINC000062639730 523027226 /nfs/dbraw/zinc/02/72/26/523027226.db2.gz RNCPDNOUMCDGHS-HNNXBMFYSA-N 1 1 285.391 3.810 10 0 CHAEMO C[N@H+]1CCCC[C@H]1CCNc1ccc(F)cc1Cl ZINC000052205468 523798761 /nfs/dbraw/zinc/79/87/61/523798761.db2.gz FEAHYCHTDBKDPS-LBPRGKRZSA-N 1 1 270.779 3.765 10 0 CHAEMO CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558976 523934183 /nfs/dbraw/zinc/93/41/83/523934183.db2.gz UQLOTIDRIXIYFN-ZNMIVQPWSA-N 1 1 253.430 3.748 10 0 CHAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443192 524132766 /nfs/dbraw/zinc/13/27/66/524132766.db2.gz UPURDWRUOICJRC-ABAIWWIYSA-N 1 1 266.816 3.933 10 0 CHAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443194 524163604 /nfs/dbraw/zinc/16/36/04/524163604.db2.gz UPURDWRUOICJRC-IAQYHMDHSA-N 1 1 266.816 3.933 10 0 CHAEMO Cc1cccc(CN(C)[C@@H](C)CC[NH2+]C(C)(C)C)c1 ZINC000052346074 524378455 /nfs/dbraw/zinc/37/84/55/524378455.db2.gz VUWUIGCHZGGZJI-HNNXBMFYSA-N 1 1 262.441 3.594 10 0 CHAEMO Cc1cccc(C[N@H+]2CCCN[C@H](c3ccccc3)C2)c1 ZINC000062671251 524392107 /nfs/dbraw/zinc/39/21/07/524392107.db2.gz CLVWYSSNWQTBKU-IBGZPJMESA-N 1 1 280.415 3.532 10 0 CHAEMO Cc1cccc(CN2CCC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000062671251 524392114 /nfs/dbraw/zinc/39/21/14/524392114.db2.gz CLVWYSSNWQTBKU-IBGZPJMESA-N 1 1 280.415 3.532 10 0 CHAEMO Cc1cccc(C[N@@H+]2C[C@H](C(C)C)NC[C@@H]2CC(C)C)c1 ZINC000062705156 524411133 /nfs/dbraw/zinc/41/11/33/524411133.db2.gz KAZXCRWKFUCCLL-RBUKOAKNSA-N 1 1 288.479 3.840 10 0 CHAEMO Cc1cccc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2CC(C)C)c1 ZINC000062705156 524411139 /nfs/dbraw/zinc/41/11/39/524411139.db2.gz KAZXCRWKFUCCLL-RBUKOAKNSA-N 1 1 288.479 3.840 10 0 CHAEMO Cc1ccccc1C[N@H+]1C[C@@H](C)NC[C@@H]1c1ccccc1 ZINC000062671204 525146802 /nfs/dbraw/zinc/14/68/02/525146802.db2.gz NBICGFOCQVDOLC-VQIMIIECSA-N 1 1 280.415 3.530 10 0 CHAEMO Cc1ccccc1C[N@@H+]1C[C@@H](C)NC[C@@H]1c1ccccc1 ZINC000062671204 525146807 /nfs/dbraw/zinc/14/68/07/525146807.db2.gz NBICGFOCQVDOLC-VQIMIIECSA-N 1 1 280.415 3.530 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1nccs1 ZINC000070984410 525660018 /nfs/dbraw/zinc/66/00/18/525660018.db2.gz SYKNKMCJEDZOAB-RKDXNWHRSA-N 1 1 268.332 3.833 10 0 CHAEMO C[C@@H](Nc1ccc(N)[nH+]c1)c1ccc(Br)cc1 ZINC000049525077 525706528 /nfs/dbraw/zinc/70/65/28/525706528.db2.gz IFVVDOCKRIERPH-SECBINFHSA-N 1 1 292.180 3.599 10 0 CHAEMO Cc1ccccc1C[N@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000036104458 566993770 /nfs/dbraw/zinc/99/37/70/566993770.db2.gz AOOSALPZRPTMBN-LJQANCHMSA-N 1 1 283.415 3.939 10 0 CHAEMO Cc1cccc(C[N@H+](C[C@H](O)c2ccccc2)C(C)C)c1 ZINC000036098698 566995007 /nfs/dbraw/zinc/99/50/07/566995007.db2.gz PFHJQVHKCZMNFR-IBGZPJMESA-N 1 1 283.415 3.939 10 0 CHAEMO CC(C)Oc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000057353419 567894870 /nfs/dbraw/zinc/89/48/70/567894870.db2.gz NUJGXLWCSQAGDI-UHFFFAOYSA-N 1 1 295.386 3.640 10 0 CHAEMO CC[NH+](CC)CCNCc1cn(C(C)C)c2ccccc12 ZINC000057353476 567895097 /nfs/dbraw/zinc/89/50/97/567895097.db2.gz KPVJWUGKRAZBIV-UHFFFAOYSA-N 1 1 287.451 3.654 10 0 CHAEMO CCc1nc(C)c(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)[nH]1 ZINC000055281123 570242188 /nfs/dbraw/zinc/24/21/88/570242188.db2.gz JFPPOPGTJMUVDE-CQSZACIVSA-N 1 1 289.423 3.920 10 0 CHAEMO C[C@@H](c1ccncn1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000215827125 570304249 /nfs/dbraw/zinc/30/42/49/570304249.db2.gz OOZYBCIVFCJCBF-NSHDSACASA-N 1 1 295.308 3.688 10 0 CHAEMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000215827125 570304252 /nfs/dbraw/zinc/30/42/52/570304252.db2.gz OOZYBCIVFCJCBF-NSHDSACASA-N 1 1 295.308 3.688 10 0 CHAEMO C[C@@H]1CCC[N@H+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000685960785 570406892 /nfs/dbraw/zinc/40/68/92/570406892.db2.gz CIYOGAUTLOVPJC-RHSMWYFYSA-N 1 1 296.455 3.508 10 0 CHAEMO CC/C=C/CC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189808466 1126934718 /nfs/dbraw/zinc/93/47/18/1126934718.db2.gz JIUNTBYYFCGCCU-NNTXTVRGSA-N 1 1 250.411 3.945 10 0 CHAEMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2Cl)s1 ZINC000102773269 1122944412 /nfs/dbraw/zinc/94/44/12/1122944412.db2.gz ICULAVBEPOPWHJ-HNNXBMFYSA-N 1 1 295.835 3.875 10 0 CHAEMO Cc1cc(Nc2ccccc2C(F)(F)F)[nH+]cc1N ZINC000082573610 178113186 /nfs/dbraw/zinc/11/31/86/178113186.db2.gz YMUFJSIDJJHYGU-UHFFFAOYSA-N 1 1 267.254 3.735 10 0 CHAEMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000015006266 170653041 /nfs/dbraw/zinc/65/30/41/170653041.db2.gz UYXWFLLCLPBNSP-CQSZACIVSA-N 1 1 299.393 3.948 10 0 CHAEMO C[C@@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1ccccc1Cl ZINC000020124096 171005534 /nfs/dbraw/zinc/00/55/34/171005534.db2.gz PLGCYUJOXKVLPM-MEBBXXQBSA-N 1 1 289.762 3.830 10 0 CHAEMO C[NH+](C)C[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000020129375 171017353 /nfs/dbraw/zinc/01/73/53/171017353.db2.gz LYZGRXOZMSWMMN-MOPGFXCFSA-N 1 1 280.415 3.566 10 0 CHAEMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1F ZINC000020177218 171042995 /nfs/dbraw/zinc/04/29/95/171042995.db2.gz SIFSLGAHJXOURH-LLVKDONJSA-N 1 1 263.312 3.668 10 0 CHAEMO CCCCN(CCCC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000020484787 171224469 /nfs/dbraw/zinc/22/44/69/171224469.db2.gz SLONTFKTRYGLRJ-QGZVFWFLSA-N 1 1 278.440 3.597 10 0 CHAEMO Cc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000020550084 171246775 /nfs/dbraw/zinc/24/67/75/171246775.db2.gz APOPSGLGBJMPPK-HLLBOEOZSA-N 1 1 260.425 3.566 10 0 CHAEMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)N(C)C ZINC000020561979 171252251 /nfs/dbraw/zinc/25/22/51/171252251.db2.gz WTOLLZFGJOHADL-SWLSCSKDSA-N 1 1 268.832 3.577 10 0 CHAEMO CCCC[N@@H+](CC)C[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020566476 171254779 /nfs/dbraw/zinc/25/47/79/171254779.db2.gz RXJCZKZFPIWNCK-LESVLKBLSA-N 1 1 278.484 3.652 10 0 CHAEMO CCCCN(CC)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020566476 171254780 /nfs/dbraw/zinc/25/47/80/171254780.db2.gz RXJCZKZFPIWNCK-LESVLKBLSA-N 1 1 278.484 3.652 10 0 CHAEMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000020595902 171264431 /nfs/dbraw/zinc/26/44/31/171264431.db2.gz PRPDWWTVAKJLKC-QGZVFWFLSA-N 1 1 284.378 3.821 10 0 CHAEMO Fc1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595881 171264562 /nfs/dbraw/zinc/26/45/62/171264562.db2.gz OOBZMOWFOHYWBT-HNNXBMFYSA-N 1 1 270.351 3.512 10 0 CHAEMO Cc1ccc(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595936 171264746 /nfs/dbraw/zinc/26/47/46/171264746.db2.gz QKIZUUWOCPRWQT-GOSISDBHSA-N 1 1 280.415 3.990 10 0 CHAEMO CCCC[N@@H+](CC)[C@H](C(C)C)[C@@H](N)c1ccccc1 ZINC000021010986 171287370 /nfs/dbraw/zinc/28/73/70/171287370.db2.gz UXAGHQTYEAJSQE-DLBZAZTESA-N 1 1 262.441 3.833 10 0 CHAEMO CC(C)[N@@H+](C)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000021506292 171308172 /nfs/dbraw/zinc/30/81/72/171308172.db2.gz MPESZTSTNVOYIF-HOTGVXAUSA-N 1 1 254.462 3.937 10 0 CHAEMO CC(C)N(C)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021506292 171308173 /nfs/dbraw/zinc/30/81/73/171308173.db2.gz MPESZTSTNVOYIF-HOTGVXAUSA-N 1 1 254.462 3.937 10 0 CHAEMO Cc1cc([C@@H](C)NC[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC000021809144 171328611 /nfs/dbraw/zinc/32/86/11/171328611.db2.gz WAOLXFDUXPAZQC-IUODEOHRSA-N 1 1 268.470 3.602 10 0 CHAEMO C[C@@H]1CCCC[C@@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000021812232 171329806 /nfs/dbraw/zinc/32/98/06/171329806.db2.gz ZETGRTJIZYRIIM-AEFFLSMTSA-N 1 1 274.452 3.677 10 0 CHAEMO FC(F)(F)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000022153934 171360768 /nfs/dbraw/zinc/36/07/68/171360768.db2.gz VZZNSWRUGVYWJL-UHFFFAOYSA-N 1 1 260.646 3.862 10 0 CHAEMO COc1ccc2oc([C@H]([NH3+])c3cccs3)c(C)c2c1 ZINC000034972328 171908288 /nfs/dbraw/zinc/90/82/88/171908288.db2.gz FBTHURWRKHUPSX-CQSZACIVSA-N 1 1 273.357 3.859 10 0 CHAEMO CCC[NH2+][C@@H](c1ccoc1)c1c(F)cc(F)cc1F ZINC000035580760 172276439 /nfs/dbraw/zinc/27/64/39/172276439.db2.gz PHNPRBSHVHSWPP-AWEZNQCLSA-N 1 1 269.266 3.786 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccco1 ZINC000035738806 172392758 /nfs/dbraw/zinc/39/27/58/172392758.db2.gz DOLCZTXHBZTWRN-UWVGGRQHSA-N 1 1 251.276 3.970 10 0 CHAEMO CC[C@@H](C)C[N@@H+](C)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037172718 173007169 /nfs/dbraw/zinc/00/71/69/173007169.db2.gz ASPPGBDOVGVFDC-HPUBIQBYSA-N 1 1 268.489 3.898 10 0 CHAEMO Cc1ccc2sc([C@H]([NH3+])c3ccccc3)nc2c1 ZINC000037204455 173026593 /nfs/dbraw/zinc/02/65/93/173026593.db2.gz OMSJIFRSTQJVIK-CQSZACIVSA-N 1 1 254.358 3.653 10 0 CHAEMO CC(C)c1cccc(N[C@H](C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000037221056 173040467 /nfs/dbraw/zinc/04/04/67/173040467.db2.gz AEKKEOPWAKARAO-ZBFHGGJFSA-N 1 1 260.425 3.952 10 0 CHAEMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2ccc(C)cc2)C1 ZINC000037339603 173139779 /nfs/dbraw/zinc/13/97/79/173139779.db2.gz MPQSMNOPTBETQA-LSDHHAIUSA-N 1 1 259.393 3.688 10 0 CHAEMO Cc1cc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)c(C)o1 ZINC000038032537 174028574 /nfs/dbraw/zinc/02/85/74/174028574.db2.gz 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C=Cn1cc(C[N@H+]2CCCC[C@H]2c2ccc(CC)o2)cn1 ZINC000193971333 329064291 /nfs/dbraw/zinc/06/42/91/329064291.db2.gz JYANZOVBTJTVII-INIZCTEOSA-N 1 1 285.391 3.866 10 0 CHAEMO C=Cn1cc(C[N@@H+]2CCCC[C@H]2c2ccc(CC)o2)cn1 ZINC000193971333 329064292 /nfs/dbraw/zinc/06/42/92/329064292.db2.gz JYANZOVBTJTVII-INIZCTEOSA-N 1 1 285.391 3.866 10 0 CHAEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685478 329177975 /nfs/dbraw/zinc/17/79/75/329177975.db2.gz FTRSWYDIGDQVOX-BBRMVZONSA-N 1 1 298.434 3.761 10 0 CHAEMO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411315 329236460 /nfs/dbraw/zinc/23/64/60/329236460.db2.gz YXHRTZRHWIJDNO-DNVCBOLYSA-N 1 1 289.382 3.917 10 0 CHAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccnc1Cl ZINC000188949560 329375955 /nfs/dbraw/zinc/37/59/55/329375955.db2.gz JWYQKCVQIRKPRE-AWEZNQCLSA-N 1 1 288.778 3.657 10 0 CHAEMO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(C)cc1 ZINC000130824078 329628740 /nfs/dbraw/zinc/62/87/40/329628740.db2.gz HISJUZVOMNMXPT-HOCLYGCPSA-N 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PWCBRXMMXIAHTM-HNNXBMFYSA-N 1 1 274.339 3.543 10 0 CHAEMO c1coc([C@H]2CCCC[N@H+]2Cc2cnc(C3CC3)nc2)c1 ZINC000459358894 331278052 /nfs/dbraw/zinc/27/80/52/331278052.db2.gz XJOJVYLJYPKKIK-OAHLLOKOSA-N 1 1 283.375 3.674 10 0 CHAEMO c1coc([C@H]2CCCC[N@@H+]2Cc2cnc(C3CC3)nc2)c1 ZINC000459358894 331278053 /nfs/dbraw/zinc/27/80/53/331278053.db2.gz XJOJVYLJYPKKIK-OAHLLOKOSA-N 1 1 283.375 3.674 10 0 CHAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248184089 334296633 /nfs/dbraw/zinc/29/66/33/334296633.db2.gz WYRSAAAFOSVQAF-IIYDPXPESA-N 1 1 295.373 3.653 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3C)C2)c1 ZINC000248183720 334296666 /nfs/dbraw/zinc/29/66/66/334296666.db2.gz WXVVIOKKAZJZGL-DLBZAZTESA-N 1 1 283.419 3.898 10 0 CHAEMO C[C@]1(CN(Cc2ccccc2)Cc2ccccc2)CC[NH2+]C1 ZINC000307160754 333012879 /nfs/dbraw/zinc/01/28/79/333012879.db2.gz DWVPNSMAHNRPHM-FQEVSTJZSA-N 1 1 294.442 3.688 10 0 CHAEMO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000172822651 335123139 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CCCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062705192 520599093 /nfs/dbraw/zinc/59/90/93/520599093.db2.gz WPCTVBRMUJORIU-MOPGFXCFSA-N 1 1 288.479 3.718 10 0 CHAEMO CCCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062705192 520599101 /nfs/dbraw/zinc/59/91/01/520599101.db2.gz WPCTVBRMUJORIU-MOPGFXCFSA-N 1 1 288.479 3.718 10 0 CHAEMO CCC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccsc1 ZINC000187793578 520792961 /nfs/dbraw/zinc/79/29/61/520792961.db2.gz RYZFOTAPQIKJSQ-KGLIPLIRSA-N 1 1 290.436 3.614 10 0 CHAEMO COCCCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000103226665 523108747 /nfs/dbraw/zinc/10/87/47/523108747.db2.gz MGWTUFDCHYLVFG-UHFFFAOYSA-N 1 1 265.397 3.841 10 0 CHAEMO CCn1nccc1C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000126980608 523727617 /nfs/dbraw/zinc/72/76/17/523727617.db2.gz HWLMGRANDSQJAW-HNNXBMFYSA-N 1 1 273.380 3.532 10 0 CHAEMO CCn1nccc1C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000126980608 523727623 /nfs/dbraw/zinc/72/76/23/523727623.db2.gz HWLMGRANDSQJAW-HNNXBMFYSA-N 1 1 273.380 3.532 10 0 CHAEMO CC[C@H](C(=O)c1ccccc1)[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050565952 523817848 /nfs/dbraw/zinc/81/78/48/523817848.db2.gz BJLHAGOWIBCVDQ-OFQRWUPVSA-N 1 1 259.393 3.768 10 0 CHAEMO Cc1cccc(N2CC=C(c3cccs3)CC2)[nH+]1 ZINC000157620876 524536101 /nfs/dbraw/zinc/53/61/01/524536101.db2.gz IWYAUCIYVJUBNX-UHFFFAOYSA-N 1 1 256.374 3.745 10 0 CHAEMO COc1ccc([C@H](C)Nc2cccc(C)[nH+]2)cc1OC ZINC000040491193 525337908 /nfs/dbraw/zinc/33/79/08/525337908.db2.gz DHHISSUJMASYHC-LBPRGKRZSA-N 1 1 272.348 3.580 10 0 CHAEMO C[C@@H]([NH2+]Cc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000054788753 525546450 /nfs/dbraw/zinc/54/64/50/525546450.db2.gz YNQBULUWUKJZHW-SECBINFHSA-N 1 1 282.174 3.634 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(F)c(Cl)c1 ZINC000138912345 525621273 /nfs/dbraw/zinc/62/12/73/525621273.db2.gz ZKCUXHVSWCTGET-BDAKNGLRSA-N 1 1 267.735 3.614 10 0 CHAEMO FC(F)n1ccnc1C[NH2+][C@H]1CCCc2sccc21 ZINC000061362479 526271445 /nfs/dbraw/zinc/27/14/45/526271445.db2.gz SYMSBFCRSJNEAO-JTQLQIEISA-N 1 1 283.347 3.507 10 0 CHAEMO Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157019706 526349034 /nfs/dbraw/zinc/34/90/34/526349034.db2.gz ROVREXGQSQAREX-NSHDSACASA-N 1 1 294.370 3.801 10 0 CHAEMO c1csc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127730962 526581211 /nfs/dbraw/zinc/58/12/11/526581211.db2.gz ACILPCOLPTXHDB-LBPRGKRZSA-N 1 1 264.419 3.932 10 0 CHAEMO c1csc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127730962 526581216 /nfs/dbraw/zinc/58/12/16/526581216.db2.gz ACILPCOLPTXHDB-LBPRGKRZSA-N 1 1 264.419 3.932 10 0 CHAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc4ccccc4s3)C2)cn1 ZINC000128398224 527319886 /nfs/dbraw/zinc/31/98/86/527319886.db2.gz YOXNNWGKOQINQB-AWEZNQCLSA-N 1 1 297.427 3.624 10 0 CHAEMO Nc1ccc2c(c1)[nH+]c(C1CC1)n2Cc1ccc(F)cc1 ZINC000052842177 527508306 /nfs/dbraw/zinc/50/83/06/527508306.db2.gz BYRDMZZOHBYAFN-UHFFFAOYSA-N 1 1 281.334 3.683 10 0 CHAEMO Nc1ccc2c(c1)[nH+]c(C1CC1)n2-c1ccccc1F ZINC000052842309 527508468 /nfs/dbraw/zinc/50/84/68/527508468.db2.gz XHCWHWKLUHYJPM-UHFFFAOYSA-N 1 1 267.307 3.624 10 0 CHAEMO Nc1ccc2c(c1)[nH+]c(C1CC1)n2Cc1ccccc1 ZINC000052852411 527509210 /nfs/dbraw/zinc/50/92/10/527509210.db2.gz INODEJDHHYWVOB-UHFFFAOYSA-N 1 1 263.344 3.544 10 0 CHAEMO Nc1ccc2c(c1)[nH+]cn2Cc1ccccc1C(F)(F)F ZINC000061627533 527509956 /nfs/dbraw/zinc/50/99/56/527509956.db2.gz YQZLAWQQHIUHEH-UHFFFAOYSA-N 1 1 291.276 3.686 10 0 CHAEMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000163818711 527666908 /nfs/dbraw/zinc/66/69/08/527666908.db2.gz SNWGQEVFZXLIAQ-VIFPVBQESA-N 1 1 298.217 3.886 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(N)ccc2Br)C1 ZINC000128344850 570369249 /nfs/dbraw/zinc/36/92/49/570369249.db2.gz CXOCMRKYCQTQCR-PHIMTYICSA-N 1 1 297.240 3.509 10 0 CHAEMO c1ccc2c(c1)NC13CCC4(CCC[N@H+]5CC[C@]21[C@@H]54)CC3 ZINC000014857171 560227185 /nfs/dbraw/zinc/22/71/85/560227185.db2.gz BIBZWCCWSCCFBB-MKCYZYCBSA-N 1 1 280.415 3.531 10 0 in-vitro CHAEMO C[N@@H+](Cc1c(N)cccc1Br)C1CCCCC1 ZINC000037401804 570248403 /nfs/dbraw/zinc/24/84/03/570248403.db2.gz DMIWCSFPZMTIHH-UHFFFAOYSA-N 1 1 297.240 3.796 10 0 CHAEMO COc1cccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189761279 1126935237 /nfs/dbraw/zinc/93/52/37/1126935237.db2.gz XTJJVADGNFISJG-INIZCTEOSA-N 1 1 288.416 3.797 10 0 CHAEMO COc1cccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189761279 1126935238 /nfs/dbraw/zinc/93/52/38/1126935238.db2.gz XTJJVADGNFISJG-INIZCTEOSA-N 1 1 288.416 3.797 10 0 CHAEMO c1csc(N2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000301873959 1123940000 /nfs/dbraw/zinc/94/00/00/1123940000.db2.gz JRLRSZXKDBTYOA-UHFFFAOYSA-N 1 1 298.415 3.705 10 0 CHAEMO Cc1oncc1C[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191689282 1125328964 /nfs/dbraw/zinc/32/89/64/1125328964.db2.gz AMPUYARBTLBEJI-LBPRGKRZSA-N 1 1 292.329 3.641 10 0 CHAEMO CC(C)c1ccc(-c2[nH+]c(C3CC3)n(C)c2N)cc1 ZINC000103501823 185846004 /nfs/dbraw/zinc/84/60/04/185846004.db2.gz FLELDYIANKRQAV-UHFFFAOYSA-N 1 1 255.365 3.670 10 0 CHAEMO CCCCCCc1[nH+]c(-c2ccccc2)n(C)c1N ZINC000103502231 185847387 /nfs/dbraw/zinc/84/73/87/185847387.db2.gz YWCRGTZRKVZCDA-UHFFFAOYSA-N 1 1 257.381 3.792 10 0 CHAEMO Cc1ccc([C@@H](O)[C@H](C)[N@@H+](C)CC2CCCC2)cc1 ZINC000104347891 185978101 /nfs/dbraw/zinc/97/81/01/185978101.db2.gz GFZXGJVMKJCCLK-YOEHRIQHSA-N 1 1 261.409 3.539 10 0 CHAEMO Cc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000020129317 171016860 /nfs/dbraw/zinc/01/68/60/171016860.db2.gz ZMXCYJBMIORERI-LPHOPBHVSA-N 1 1 282.431 3.949 10 0 CHAEMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(N)c1 ZINC000020192456 171058032 /nfs/dbraw/zinc/05/80/32/171058032.db2.gz WEDTZRNDARMQHZ-GFCCVEGCSA-N 1 1 252.789 3.687 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(Cl)cc1N ZINC000020382993 171173120 /nfs/dbraw/zinc/17/31/20/171173120.db2.gz HQPWQJXJEODDCU-GFCCVEGCSA-N 1 1 281.831 3.599 10 0 CHAEMO Cc1cc(C)c([C@H](N)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000020547298 171245088 /nfs/dbraw/zinc/24/50/88/171245088.db2.gz YKMMPXQBBIODQE-QGZVFWFLSA-N 1 1 274.452 3.876 10 0 CHAEMO COc1ccc(C)cc1[C@H]([NH3+])c1cc2ccccc2o1 ZINC000020592731 171262091 /nfs/dbraw/zinc/26/20/91/171262091.db2.gz XUWFZTPPURIFCB-KRWDZBQOSA-N 1 1 267.328 3.798 10 0 CHAEMO Fc1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595879 171264692 /nfs/dbraw/zinc/26/46/92/171264692.db2.gz OOBZMOWFOHYWBT-OAHLLOKOSA-N 1 1 270.351 3.512 10 0 CHAEMO CCN(CC)[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021011460 171287191 /nfs/dbraw/zinc/28/71/91/171287191.db2.gz HCOJJWJRCZKJNJ-HZPDHXFCSA-N 1 1 254.462 3.939 10 0 CHAEMO CC(C)Cc1ccc([C@@H](N)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021039976 171293449 /nfs/dbraw/zinc/29/34/49/171293449.db2.gz UXHUXTYNWAXOAI-FCEWJHQRSA-N 1 1 288.479 3.863 10 0 CHAEMO CCC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([N@H+]2CCCC[C@@H]2C)C1 ZINC000021512556 171310823 /nfs/dbraw/zinc/31/08/23/171310823.db2.gz SSPLHMMOTSOUEV-FZKCQIBNSA-N 1 1 266.473 3.793 10 0 CHAEMO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](N2CCCC[C@@H]2C)C1 ZINC000021512556 171310825 /nfs/dbraw/zinc/31/08/25/171310825.db2.gz SSPLHMMOTSOUEV-FZKCQIBNSA-N 1 1 266.473 3.793 10 0 CHAEMO Cc1cc(C)c(CNCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000021789478 171323524 /nfs/dbraw/zinc/32/35/24/171323524.db2.gz CPYRSYHHKDCSEE-GOSISDBHSA-N 1 1 288.479 3.966 10 0 CHAEMO Cc1cc(C)c(CNCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000021789478 171323525 /nfs/dbraw/zinc/32/35/25/171323525.db2.gz CPYRSYHHKDCSEE-GOSISDBHSA-N 1 1 288.479 3.966 10 0 CHAEMO CCCC[N@@H+](C)C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021798414 171325146 /nfs/dbraw/zinc/32/51/46/171325146.db2.gz VAPGDFQOKJRLAU-MRXNPFEDSA-N 1 1 262.441 3.716 10 0 CHAEMO CCCCN(C)C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021798414 171325147 /nfs/dbraw/zinc/32/51/47/171325147.db2.gz VAPGDFQOKJRLAU-MRXNPFEDSA-N 1 1 262.441 3.716 10 0 CHAEMO C[C@@H]1CCCC[C@H]1[NH2+]CCCN(C)Cc1ccccc1 ZINC000021812234 171329553 /nfs/dbraw/zinc/32/95/53/171329553.db2.gz ZETGRTJIZYRIIM-SJLPKXTDSA-N 1 1 274.452 3.677 10 0 CHAEMO CC(C)[C@@H](CN[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000021817804 171333310 /nfs/dbraw/zinc/33/33/10/171333310.db2.gz ASCPOCGCMSZARP-IUODEOHRSA-N 1 1 268.832 3.577 10 0 CHAEMO C[N@@H+](C1CCCCC1)[C@@](C)(CN)CCc1ccccc1 ZINC000035176655 172029521 /nfs/dbraw/zinc/02/95/21/172029521.db2.gz OCRGNVCLJMLELG-GOSISDBHSA-N 1 1 274.452 3.601 10 0 CHAEMO CCCCCC[C@@](C)(CN)[N@@H+](C)C1CCCCC1 ZINC000035176708 172030430 /nfs/dbraw/zinc/03/04/30/172030430.db2.gz FQZAAMMOXQFKJI-INIZCTEOSA-N 1 1 254.462 3.939 10 0 CHAEMO Cc1ccc([C@H](N)[C@H](C)[N@@H+](C)C2CCCCC2)cc1 ZINC000035219791 172061056 /nfs/dbraw/zinc/06/10/56/172061056.db2.gz YRDUJMNPDKYJRC-WMLDXEAASA-N 1 1 260.425 3.648 10 0 CHAEMO C[N@H+](Cc1cccc(N)c1)Cc1ccc(F)cc1Cl ZINC000035359938 172150613 /nfs/dbraw/zinc/15/06/13/172150613.db2.gz FHVNQCZLNSFETF-UHFFFAOYSA-N 1 1 278.758 3.693 10 0 CHAEMO C[N@@H+](Cc1cccc(N)c1)Cc1ccc(F)cc1Cl ZINC000035359938 172150616 /nfs/dbraw/zinc/15/06/16/172150616.db2.gz FHVNQCZLNSFETF-UHFFFAOYSA-N 1 1 278.758 3.693 10 0 CHAEMO CC[N@@H+](Cc1ccccc1N)Cc1ccccc1Cl ZINC000035364578 172153326 /nfs/dbraw/zinc/15/33/26/172153326.db2.gz RYPJHZYSKXJSTQ-UHFFFAOYSA-N 1 1 274.795 3.944 10 0 CHAEMO CC[NH2+][C@@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035544867 172252822 /nfs/dbraw/zinc/25/28/22/172252822.db2.gz XKBHIPRDQYTKNR-VIFPVBQESA-N 1 1 271.204 3.707 10 0 CHAEMO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1Cc1ccccc1 ZINC000035565304 172264432 /nfs/dbraw/zinc/26/44/32/172264432.db2.gz LEAGHBKQXMGUNR-RBUKOAKNSA-N 1 1 288.479 3.921 10 0 CHAEMO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1Cc1ccccc1 ZINC000035565304 172264435 /nfs/dbraw/zinc/26/44/35/172264435.db2.gz LEAGHBKQXMGUNR-RBUKOAKNSA-N 1 1 288.479 3.921 10 0 CHAEMO CCC[NH2+][C@@H](c1ccco1)c1ccc(F)cc1F ZINC000035581877 172278638 /nfs/dbraw/zinc/27/86/38/172278638.db2.gz YQVYCMVNICHWTB-CQSZACIVSA-N 1 1 251.276 3.647 10 0 CHAEMO Cc1ccc(N[C@H](C)[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000037221880 173042385 /nfs/dbraw/zinc/04/23/85/173042385.db2.gz UMSQJDHIEIBVFD-OLZOCXBDSA-N 1 1 266.816 3.791 10 0 CHAEMO CSCc1ccc(C[NH2+][C@@H]2CCCc3occc32)o1 ZINC000037242178 173057677 /nfs/dbraw/zinc/05/76/77/173057677.db2.gz JFXWVTZQVKSMEW-CQSZACIVSA-N 1 1 277.389 3.903 10 0 CHAEMO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccc(C)cc2C)C1 ZINC000037339473 173140600 /nfs/dbraw/zinc/14/06/00/173140600.db2.gz ZECZHMVJKMBOAR-OAHLLOKOSA-N 1 1 259.393 3.608 10 0 CHAEMO Cc1cc(C)c([C@@H](C)NC[C@@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000038029108 174019343 /nfs/dbraw/zinc/01/93/43/174019343.db2.gz WSDJASGNWUBRFU-HZPDHXFCSA-N 1 1 289.467 3.532 10 0 CHAEMO Cc1cc(C)c([C@@H](C)NC[C@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000038029110 174019585 /nfs/dbraw/zinc/01/95/85/174019585.db2.gz WSDJASGNWUBRFU-JKSUJKDBSA-N 1 1 289.467 3.532 10 0 CHAEMO C[C@H](c1ccc(F)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032483 174028165 /nfs/dbraw/zinc/02/81/65/174028165.db2.gz HYLAPAOSPCMHPP-GFCCVEGCSA-N 1 1 270.351 3.527 10 0 CHAEMO CC[C@@H](c1ccccc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032517 174028235 /nfs/dbraw/zinc/02/82/35/174028235.db2.gz SONSGQFZVDKYLT-SFHVURJKSA-N 1 1 266.388 3.778 10 0 CHAEMO C[C@@H](c1cccc(F)c1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032534 174028931 /nfs/dbraw/zinc/02/89/31/174028931.db2.gz MJSXVWLLUXMCJG-LBPRGKRZSA-N 1 1 270.351 3.527 10 0 CHAEMO CC1CC[NH+]([C@@H](CN)c2ccc(C(C)(C)C)cc2)CC1 ZINC000038688808 174152305 /nfs/dbraw/zinc/15/23/05/174152305.db2.gz LCRUYKXOXKFUBK-KRWDZBQOSA-N 1 1 274.452 3.716 10 0 CHAEMO CCCOc1ccc([C@H](C[NH3+])N(CCC)CCC)cc1 ZINC000039789133 174173565 /nfs/dbraw/zinc/17/35/65/174173565.db2.gz ODKCYEIUJTYGIX-KRWDZBQOSA-N 1 1 278.440 3.597 10 0 CHAEMO CC(C)Oc1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121901 175143086 /nfs/dbraw/zinc/14/30/86/175143086.db2.gz IQSLOBUTJPJQFO-DAYGRLMNSA-N 1 1 291.435 3.770 10 0 CHAEMO Cc1cc(F)ccc1N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268598 176102499 /nfs/dbraw/zinc/10/24/99/176102499.db2.gz APLSDEHCMJTRIE-UHFFFAOYSA-N 1 1 258.271 3.619 10 0 CHAEMO CCCCc1ccc([C@@H]([C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000071587072 176214010 /nfs/dbraw/zinc/21/40/10/176214010.db2.gz AVRPZTCMOASPCP-RHSMWYFYSA-N 1 1 260.425 3.513 10 0 CHAEMO Nc1[nH+]c2cc(C(F)(F)F)ccc2n1-c1ccccc1 ZINC000075947513 176839334 /nfs/dbraw/zinc/83/93/34/176839334.db2.gz SKPBFUNDXMGIFS-UHFFFAOYSA-N 1 1 277.249 3.627 10 0 CHAEMO C[C@H](c1ccccc1)[N@@H+](CCN)CC1CCCCC1 ZINC000076671513 177053822 /nfs/dbraw/zinc/05/38/22/177053822.db2.gz ZSSYZPQOTOOIPI-OAHLLOKOSA-N 1 1 260.425 3.589 10 0 CHAEMO C[C@H](c1ccccc1)N(CC[NH3+])CC1CCCCC1 ZINC000076671513 177053826 /nfs/dbraw/zinc/05/38/26/177053826.db2.gz ZSSYZPQOTOOIPI-OAHLLOKOSA-N 1 1 260.425 3.589 10 0 CHAEMO C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCS1 ZINC000171699609 335075055 /nfs/dbraw/zinc/07/50/55/335075055.db2.gz SBJUERYZUFRMKY-LBPRGKRZSA-N 1 1 290.457 3.747 10 0 CHAEMO CC1CCC(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000312686899 260190773 /nfs/dbraw/zinc/19/07/73/260190773.db2.gz DRHJTAIAJYKOKY-NHHFINERSA-N 1 1 279.468 3.828 10 0 CHAEMO CCn1cccc1C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000091025512 260265249 /nfs/dbraw/zinc/26/52/49/260265249.db2.gz VDUQLWMOLUAQNE-NSHDSACASA-N 1 1 264.319 3.637 10 0 CHAEMO Cc1nccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)n1 ZINC000128024825 260371679 /nfs/dbraw/zinc/37/16/79/260371679.db2.gz XEMYTKPLQAQYLK-GFCCVEGCSA-N 1 1 293.823 3.667 10 0 CHAEMO Fc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1Cl ZINC000129014118 260380391 /nfs/dbraw/zinc/38/03/91/260380391.db2.gz AZSDUZWUCMNQCR-CQSZACIVSA-N 1 1 277.726 3.702 10 0 CHAEMO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH]nc2C)o1 ZINC000093459159 260518889 /nfs/dbraw/zinc/51/88/89/260518889.db2.gz WYWVSESSFITJTG-HNNXBMFYSA-N 1 1 273.380 3.601 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3C)C2)c1 ZINC000106225154 261323400 /nfs/dbraw/zinc/32/34/00/261323400.db2.gz IZUIRIOADIQMTM-GOSISDBHSA-N 1 1 283.419 3.645 10 0 CHAEMO CCCCc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164653803 261356713 /nfs/dbraw/zinc/35/67/13/261356713.db2.gz VLMZENDYCPKEMH-WMLDXEAASA-N 1 1 298.434 3.806 10 0 CHAEMO Clc1cccc(C[N@H+]2CCCC23CCCC3)n1 ZINC000310462016 262159429 /nfs/dbraw/zinc/15/94/29/262159429.db2.gz YDAIDCIHHJLNCE-UHFFFAOYSA-N 1 1 250.773 3.644 10 0 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264.419 3.850 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccs2)cs1 ZINC000189929857 1126936336 /nfs/dbraw/zinc/93/63/36/1126936336.db2.gz MMZVKGWJMIXPRP-ZDUSSCGKSA-N 1 1 264.419 3.850 10 0 CHAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(F)cc1F ZINC000188949992 1120470026 /nfs/dbraw/zinc/47/00/26/1120470026.db2.gz LSHXJNIKYTZXBG-INIZCTEOSA-N 1 1 289.325 3.887 10 0 CHAEMO CC(=O)[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000095764185 185027390 /nfs/dbraw/zinc/02/73/90/185027390.db2.gz HPIOOTFKTKCKLG-MOPGFXCFSA-N 1 1 279.383 3.839 10 0 CHAEMO Cc1ccccc1[C@@H](C)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000020129396 171017143 /nfs/dbraw/zinc/01/71/43/171017143.db2.gz OOEMEKRRCOTUKZ-VQIMIIECSA-N 1 1 282.431 3.949 10 0 CHAEMO CSc1ccc([C@H](C)NC[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000020145886 171032160 /nfs/dbraw/zinc/03/21/60/171032160.db2.gz NBCQWWKQMMWASR-BBRMVZONSA-N 1 1 280.481 3.645 10 0 CHAEMO CCOc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1F ZINC000020177220 171043090 /nfs/dbraw/zinc/04/30/90/171043090.db2.gz SIFSLGAHJXOURH-NSHDSACASA-N 1 1 263.312 3.668 10 0 CHAEMO CCCCCC[C@@H](CN)[N@@H+](CC)C1CCCCC1 ZINC000020520585 171233922 /nfs/dbraw/zinc/23/39/22/171233922.db2.gz CZSZOKHLMUHLBI-INIZCTEOSA-N 1 1 254.462 3.939 10 0 CHAEMO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000020546227 171244034 /nfs/dbraw/zinc/24/40/34/171244034.db2.gz GPQSLYWPUOZNAR-XIRDDKMYSA-N 1 1 260.425 3.585 10 0 CHAEMO CCCC[N@@H+](CC)C[C@@H](N)c1ccc(CCC)cc1 ZINC000020547436 171245164 /nfs/dbraw/zinc/24/51/64/171245164.db2.gz OZUOLWYRMMRIJF-QGZVFWFLSA-N 1 1 262.441 3.761 10 0 CHAEMO CCCCN(CC)C[C@@H]([NH3+])c1ccc(CCC)cc1 ZINC000020547436 171245165 /nfs/dbraw/zinc/24/51/65/171245165.db2.gz OZUOLWYRMMRIJF-QGZVFWFLSA-N 1 1 262.441 3.761 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@](CN)([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552831 171248224 /nfs/dbraw/zinc/24/82/24/171248224.db2.gz LNLOQXIKTZDOKA-HNAYVOBHSA-N 1 1 286.463 3.588 10 0 CHAEMO C[C@H]1CC(C)(C)C[C@](CN)([N@H+]2CCc3ccccc3C2)C1 ZINC000020552831 171248226 /nfs/dbraw/zinc/24/82/26/171248226.db2.gz LNLOQXIKTZDOKA-HNAYVOBHSA-N 1 1 286.463 3.588 10 0 CHAEMO Fc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020595869 171264748 /nfs/dbraw/zinc/26/47/48/171264748.db2.gz IPBPSIKVMHBMCH-KRWDZBQOSA-N 1 1 270.351 3.512 10 0 CHAEMO CCN(CC)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021011458 171287200 /nfs/dbraw/zinc/28/72/00/171287200.db2.gz HCOJJWJRCZKJNJ-HOTGVXAUSA-N 1 1 254.462 3.939 10 0 CHAEMO CCCc1ccc([C@H]([NH3+])CN2CCCCCC2)cc1 ZINC000021057487 171296011 /nfs/dbraw/zinc/29/60/11/171296011.db2.gz MFIZFHVBKFCORA-QGZVFWFLSA-N 1 1 260.425 3.515 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021504147 171307016 /nfs/dbraw/zinc/30/70/16/171307016.db2.gz NVTUOCJCGORCAK-RHSMWYFYSA-N 1 1 274.452 3.858 10 0 CHAEMO C[C@@H]1CCCCN1C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021504147 171307018 /nfs/dbraw/zinc/30/70/18/171307018.db2.gz NVTUOCJCGORCAK-RHSMWYFYSA-N 1 1 274.452 3.858 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000021507096 171308410 /nfs/dbraw/zinc/30/84/10/171308410.db2.gz WLNXLSZAFWAAEF-PBHICJAKSA-N 1 1 274.452 3.858 10 0 CHAEMO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021507096 171308411 /nfs/dbraw/zinc/30/84/11/171308411.db2.gz WLNXLSZAFWAAEF-PBHICJAKSA-N 1 1 274.452 3.858 10 0 CHAEMO CCCC[N@@H+](CC)C[C@H](N)c1ccc(OCCC)cc1 ZINC000021515333 171311747 /nfs/dbraw/zinc/31/17/47/171311747.db2.gz XQEZKVIMWDOPKE-KRWDZBQOSA-N 1 1 278.440 3.597 10 0 CHAEMO CCCCN(CC)C[C@H]([NH3+])c1ccc(OCCC)cc1 ZINC000021515333 171311748 /nfs/dbraw/zinc/31/17/48/171311748.db2.gz XQEZKVIMWDOPKE-KRWDZBQOSA-N 1 1 278.440 3.597 10 0 CHAEMO Fc1cc(F)cc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1 ZINC000021782186 171322135 /nfs/dbraw/zinc/32/21/35/171322135.db2.gz UQBFKIFGZDNYGW-GOSISDBHSA-N 1 1 296.320 3.948 10 0 CHAEMO Cc1cc(C)c(CNCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021789482 171323169 /nfs/dbraw/zinc/32/31/69/171323169.db2.gz CPYRSYHHKDCSEE-SFHVURJKSA-N 1 1 288.479 3.966 10 0 CHAEMO Cc1cc(C)c(CNCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021789482 171323170 /nfs/dbraw/zinc/32/31/70/171323170.db2.gz CPYRSYHHKDCSEE-SFHVURJKSA-N 1 1 288.479 3.966 10 0 CHAEMO CC[N@@H+](C[C@H](N)c1ccc(C)c(C)c1)C1CCCCC1 ZINC000021813265 171330543 /nfs/dbraw/zinc/33/05/43/171330543.db2.gz GMHWNQJELIRHQT-SFHVURJKSA-N 1 1 274.452 3.958 10 0 CHAEMO CC[NH+](CC)CCNCc1ccc(OCCC(C)C)cc1 ZINC000022151185 171358440 /nfs/dbraw/zinc/35/84/40/171358440.db2.gz MJHBVEMWLXZBSF-UHFFFAOYSA-N 1 1 292.467 3.543 10 0 CHAEMO CC[N@@H+](C[C@@H](N)c1ccc(C)cc1)C1CCCCC1 ZINC000022151139 171358648 /nfs/dbraw/zinc/35/86/48/171358648.db2.gz YRMXCQHHHPBXFX-QGZVFWFLSA-N 1 1 260.425 3.649 10 0 CHAEMO CC1CCN(C[C@@H]([NH3+])c2ccc3ccccc3c2)CC1 ZINC000023070867 171410590 /nfs/dbraw/zinc/41/05/90/171410590.db2.gz SNPOXUKFDJSHEN-GOSISDBHSA-N 1 1 268.404 3.572 10 0 CHAEMO C[N@@H+](C1CCCCC1)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000035219765 172060859 /nfs/dbraw/zinc/06/08/59/172060859.db2.gz UXTSKUIEIWJQAD-MSOLQXFVSA-N 1 1 272.436 3.656 10 0 CHAEMO CCC[C@H](C)[N@@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000035255588 172085233 /nfs/dbraw/zinc/08/52/33/172085233.db2.gz KSBJTQRQTMQUIC-LBPRGKRZSA-N 1 1 263.381 3.518 10 0 CHAEMO C[NH2+][C@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035501802 172236497 /nfs/dbraw/zinc/23/64/97/172236497.db2.gz RACNOQZKRBXMNZ-GFCCVEGCSA-N 1 1 256.132 3.895 10 0 CHAEMO CC[NH2+][C@@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000035539983 172245963 /nfs/dbraw/zinc/24/59/63/172245963.db2.gz CFWPZIMMTKKMIA-HNNXBMFYSA-N 1 1 265.278 3.803 10 0 CHAEMO CCC[NH2+][C@H](c1ccco1)c1cc(F)ccc1F ZINC000035580028 172275584 /nfs/dbraw/zinc/27/55/84/172275584.db2.gz VJJHZZPFQFTQBG-AWEZNQCLSA-N 1 1 251.276 3.647 10 0 CHAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(C)cc2)C1 ZINC000037210397 173032679 /nfs/dbraw/zinc/03/26/79/173032679.db2.gz ABVWTMGXSASZGX-HZPDHXFCSA-N 1 1 260.425 3.917 10 0 CHAEMO Cc1ccc(N[C@H](C)[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000037221878 173041741 /nfs/dbraw/zinc/04/17/41/173041741.db2.gz UMSQJDHIEIBVFD-CHWSQXEVSA-N 1 1 266.816 3.791 10 0 CHAEMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)N(C)C ZINC000037233288 173052744 /nfs/dbraw/zinc/05/27/44/173052744.db2.gz DDQZQKWTEOVYAU-XHDPSFHLSA-N 1 1 286.822 3.716 10 0 CHAEMO CCCC[C@H](C)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000037319346 173119372 /nfs/dbraw/zinc/11/93/72/173119372.db2.gz GJNWWPVBTZXRBZ-LBPRGKRZSA-N 1 1 258.369 3.566 10 0 CHAEMO CC[C@H](C)C[N@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037337104 173137707 /nfs/dbraw/zinc/13/77/07/173137707.db2.gz XSQOMCDPKDUQGB-LBPRGKRZSA-N 1 1 259.349 3.593 10 0 CHAEMO CC[C@H](C)C[N@@H+](C)CC(=O)c1cc2ccccc2o1 ZINC000037337104 173137709 /nfs/dbraw/zinc/13/77/09/173137709.db2.gz XSQOMCDPKDUQGB-LBPRGKRZSA-N 1 1 259.349 3.593 10 0 CHAEMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1c(C)cc(C)cc1C ZINC000037337221 173138413 /nfs/dbraw/zinc/13/84/13/173138413.db2.gz PEVSKABXTGALGE-GFCCVEGCSA-N 1 1 261.409 3.772 10 0 CHAEMO Cc1ccc(C(=O)C[N@H+](C)C2CCCCCC2)cc1 ZINC000037340206 173142093 /nfs/dbraw/zinc/14/20/93/173142093.db2.gz HFFIHCYUOSBPPX-UHFFFAOYSA-N 1 1 259.393 3.832 10 0 CHAEMO C[C@@H](c1ccccc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032476 174028926 /nfs/dbraw/zinc/02/89/26/174028926.db2.gz VIXSUHRREPRRDL-LBPRGKRZSA-N 1 1 270.351 3.527 10 0 CHAEMO CCCCCC[C@](C)([NH2+][C@H](C)CC)C(=O)OCC ZINC000038067938 174079822 /nfs/dbraw/zinc/07/98/22/174079822.db2.gz FOUWBTDIIWOUGG-HIFRSBDPSA-N 1 1 257.418 3.667 10 0 CHAEMO CCOC(=O)[C@]1([NH2+][C@@H](C)CC)C[C@H](C)CC(C)(C)C1 ZINC000038067815 174079975 /nfs/dbraw/zinc/07/99/75/174079975.db2.gz POGWFPWQSSQOIV-WWGRRREGSA-N 1 1 269.429 3.523 10 0 CHAEMO Cc1cc(C)cc(C[N@H+](C)Cc2ccccc2N)c1 ZINC000038076867 174087597 /nfs/dbraw/zinc/08/75/97/174087597.db2.gz GIJDMDMPEAYDRR-UHFFFAOYSA-N 1 1 254.377 3.518 10 0 CHAEMO CC[NH+](CC)[C@H](CN)c1ccc(OCc2ccccc2)cc1 ZINC000039789193 174173762 /nfs/dbraw/zinc/17/37/62/174173762.db2.gz KCPUFGQXDMCDOM-LJQANCHMSA-N 1 1 298.430 3.607 10 0 CHAEMO CC[N@@H+]([C@H](c1ccccc1)[C@@H](C)N)C1CCCCC1 ZINC000042900783 174905297 /nfs/dbraw/zinc/90/52/97/174905297.db2.gz MDPDWSDKSVDIAD-PBHICJAKSA-N 1 1 260.425 3.730 10 0 CHAEMO Cc1ccc([C@@H](O)C[N@H+](C)C2CCCCC2)cc1C ZINC000043501823 175058765 /nfs/dbraw/zinc/05/87/65/175058765.db2.gz FQSZLWLQUKFRFY-KRWDZBQOSA-N 1 1 261.409 3.601 10 0 CHAEMO Cc1ccc([C@@H](O)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000044120610 175142830 /nfs/dbraw/zinc/14/28/30/175142830.db2.gz QHSSFBQEIYGTJZ-KRWDZBQOSA-N 1 1 261.409 3.601 10 0 CHAEMO Cc1[nH+]ccn1C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000044181114 175151316 /nfs/dbraw/zinc/15/13/16/175151316.db2.gz IKGZRXPCTLSNPT-SFHVURJKSA-N 1 1 278.355 3.592 10 0 CHAEMO CCC[N@H+]([C@@H]1CCNC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314687 176120990 /nfs/dbraw/zinc/12/09/90/176120990.db2.gz SGUIUQVQYZSHSL-OWCLPIDISA-N 1 1 266.473 3.665 10 0 CHAEMO CCC[N@@H+]([C@@H]1CCNC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314687 176120992 /nfs/dbraw/zinc/12/09/92/176120992.db2.gz SGUIUQVQYZSHSL-OWCLPIDISA-N 1 1 266.473 3.665 10 0 CHAEMO Cc1cc([C@H](C)N[C@@H](CC(C)C)C[NH+](C)C)c(C)o1 ZINC000037167324 260071810 /nfs/dbraw/zinc/07/18/10/260071810.db2.gz IKVMESVNXYJLGB-ZFWWWQNUSA-N 1 1 266.429 3.523 10 0 CHAEMO COc1ccsc1[C@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000186228095 260043382 /nfs/dbraw/zinc/04/33/82/260043382.db2.gz YPZDXXIKEVHFCW-UONOGXRCSA-N 1 1 296.480 3.528 10 0 CHAEMO COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000186228095 260043384 /nfs/dbraw/zinc/04/33/84/260043384.db2.gz YPZDXXIKEVHFCW-UONOGXRCSA-N 1 1 296.480 3.528 10 0 CHAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1OC ZINC000080265830 260179293 /nfs/dbraw/zinc/17/92/93/260179293.db2.gz WMYWSSRZRMRNLS-GHMZBOCLSA-N 1 1 292.404 3.572 10 0 CHAEMO CCc1cc(N[C@@H](C)c2sc(C)nc2C)nc(C)[nH+]1 ZINC000088760216 260234306 /nfs/dbraw/zinc/23/43/06/260234306.db2.gz UFSKXOOGSGKSHI-VIFPVBQESA-N 1 1 276.409 3.594 10 0 CHAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCC1CCCCC1)CC2 ZINC000311363195 260243489 /nfs/dbraw/zinc/24/34/89/260243489.db2.gz CDHNYLMWKNQVRY-IRXDYDNUSA-N 1 1 265.441 3.584 10 0 CHAEMO Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000129238914 260386427 /nfs/dbraw/zinc/38/64/27/260386427.db2.gz ADOUFKHLZTVPAT-AEFFLSMTSA-N 1 1 295.430 3.855 10 0 CHAEMO Fc1cccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c1Br ZINC000449036749 261117512 /nfs/dbraw/zinc/11/75/12/261117512.db2.gz VJQISOWFPYCNDK-BXKDBHETSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1cccc(C[N@H+]2C[C@H]3CCC[C@H]32)c1Br ZINC000449036749 261117513 /nfs/dbraw/zinc/11/75/13/261117513.db2.gz VJQISOWFPYCNDK-BXKDBHETSA-N 1 1 284.172 3.573 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](CCCc3ccccc3C)C2)c1 ZINC000175906447 261251805 /nfs/dbraw/zinc/25/18/05/261251805.db2.gz HGUYQSCNSLWXEB-IBGZPJMESA-N 1 1 297.446 3.770 10 0 CHAEMO CCc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)o1 ZINC000163874053 261332627 /nfs/dbraw/zinc/33/26/27/261332627.db2.gz OIVMDLMGKIAXEU-RHSMWYFYSA-N 1 1 286.419 3.796 10 0 CHAEMO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000164630067 261355915 /nfs/dbraw/zinc/35/59/15/261355915.db2.gz QIPBMRKZEKOQPC-CJNGLKHVSA-N 1 1 284.407 3.587 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@H+]2CCc2cccnc2)o1 ZINC000172868897 261513940 /nfs/dbraw/zinc/51/39/40/261513940.db2.gz DIMVODUMLJGRIP-MRXNPFEDSA-N 1 1 270.376 3.753 10 0 CHAEMO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000289746870 263111797 /nfs/dbraw/zinc/11/17/97/263111797.db2.gz FEOZLKUSMHWQLV-CYBMUJFWSA-N 1 1 271.408 3.866 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)nc2)o1 ZINC000284392460 264535579 /nfs/dbraw/zinc/53/55/79/264535579.db2.gz PEZGZIXNVKJKJF-GFCCVEGCSA-N 1 1 273.380 3.526 10 0 CHAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000094826918 265260588 /nfs/dbraw/zinc/26/05/88/265260588.db2.gz IOUARYFPYTXHGQ-MLGOLLRUSA-N 1 1 284.394 3.592 10 0 CHAEMO Fc1ccc(OCC[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116293011 267137537 /nfs/dbraw/zinc/13/75/37/267137537.db2.gz OUHRBDIVNJAKLC-HNNXBMFYSA-N 1 1 275.323 3.635 10 0 CHAEMO Fc1cccc(OCC[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116292235 267137565 /nfs/dbraw/zinc/13/75/65/267137565.db2.gz CLYWRPCTWXUWGH-HNNXBMFYSA-N 1 1 275.323 3.635 10 0 CHAEMO Fc1ccc(N[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000040671182 328015298 /nfs/dbraw/zinc/01/52/98/328015298.db2.gz MHEHQCMVAJIAOC-SFHVURJKSA-N 1 1 284.378 3.555 10 0 CHAEMO Fc1ccc(CC[N@H+]2CCC[C@H]2c2ccco2)cc1F ZINC000152094352 328065182 /nfs/dbraw/zinc/06/51/82/328065182.db2.gz XKLFUPJARBMVMN-HNNXBMFYSA-N 1 1 277.314 3.937 10 0 CHAEMO Cc1ccccc1[C@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000049856248 328380272 /nfs/dbraw/zinc/38/02/72/328380272.db2.gz PPODYTVMVVTOTQ-HOTGVXAUSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1ccccc1[C@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000049856248 328380274 /nfs/dbraw/zinc/38/02/74/328380274.db2.gz PPODYTVMVVTOTQ-HOTGVXAUSA-N 1 1 260.425 3.520 10 0 CHAEMO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000049856248 328380276 /nfs/dbraw/zinc/38/02/76/328380276.db2.gz PPODYTVMVVTOTQ-HOTGVXAUSA-N 1 1 260.425 3.520 10 0 CHAEMO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856219 328380435 /nfs/dbraw/zinc/38/04/35/328380435.db2.gz LGLQMRLJQQDCEN-BBRMVZONSA-N 1 1 280.843 3.865 10 0 CHAEMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856219 328380436 /nfs/dbraw/zinc/38/04/36/328380436.db2.gz LGLQMRLJQQDCEN-BBRMVZONSA-N 1 1 280.843 3.865 10 0 CHAEMO FC(F)(F)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000255624069 327000120 /nfs/dbraw/zinc/00/01/20/327000120.db2.gz TVYQYXFWWBFECN-VCDPDADVSA-N 1 1 269.310 3.974 10 0 CHAEMO Clc1ncccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000171081314 329074624 /nfs/dbraw/zinc/07/46/24/329074624.db2.gz AYXXHHRDUWKRLR-GFCCVEGCSA-N 1 1 293.823 3.571 10 0 CHAEMO Clc1ncccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000171081314 329074625 /nfs/dbraw/zinc/07/46/25/329074625.db2.gz AYXXHHRDUWKRLR-GFCCVEGCSA-N 1 1 293.823 3.571 10 0 CHAEMO Fc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000172025360 329083344 /nfs/dbraw/zinc/08/33/44/329083344.db2.gz YIUWBYUPHBIMGJ-AWEZNQCLSA-N 1 1 263.287 3.895 10 0 CHAEMO Fc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000172025360 329083345 /nfs/dbraw/zinc/08/33/45/329083345.db2.gz YIUWBYUPHBIMGJ-AWEZNQCLSA-N 1 1 263.287 3.895 10 0 CHAEMO Clc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000173602919 329149705 /nfs/dbraw/zinc/14/97/05/329149705.db2.gz DBQUSQYVKWAYCF-NSHDSACASA-N 1 1 293.823 3.571 10 0 CHAEMO Clc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000173602919 329149707 /nfs/dbraw/zinc/14/97/07/329149707.db2.gz DBQUSQYVKWAYCF-NSHDSACASA-N 1 1 293.823 3.571 10 0 CHAEMO COCC(C)(C)[NH2+]Cc1ncc(-c2ccccc2Cl)o1 ZINC000173639738 329150292 /nfs/dbraw/zinc/15/02/92/329150292.db2.gz KBHXRXLYIAIERP-UHFFFAOYSA-N 1 1 294.782 3.510 10 0 CHAEMO C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173656188 329150303 /nfs/dbraw/zinc/15/03/03/329150303.db2.gz ZAUGASWBRCFINN-CRAIPNDOSA-N 1 1 283.419 3.578 10 0 CHAEMO Clc1ncc(C[N@@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000175419433 329165558 /nfs/dbraw/zinc/16/55/58/329165558.db2.gz KJLLQIYKKAWCCZ-VIFPVBQESA-N 1 1 299.852 3.633 10 0 CHAEMO Clc1ncc(C[N@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000175419433 329165560 /nfs/dbraw/zinc/16/55/60/329165560.db2.gz KJLLQIYKKAWCCZ-VIFPVBQESA-N 1 1 299.852 3.633 10 0 CHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178543995 329198345 /nfs/dbraw/zinc/19/83/45/329198345.db2.gz XPYDLJNCGHJCSA-INIZCTEOSA-N 1 1 295.386 3.602 10 0 CHAEMO Cc1csc([C@H]2CCC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184671249 329261690 /nfs/dbraw/zinc/26/16/90/329261690.db2.gz GFJLXYAGIIIYQS-KBPBESRZSA-N 1 1 294.464 3.589 10 0 CHAEMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)[nH]1 ZINC000392351611 329274459 /nfs/dbraw/zinc/27/44/59/329274459.db2.gz PXKDPDAPANPWIH-NWDGAFQWSA-N 1 1 272.396 3.648 10 0 CHAEMO ClC(Cl)(Cl)CC[N@H+]1CCCC2(CC2)C1 ZINC000186977953 329352538 /nfs/dbraw/zinc/35/25/38/329352538.db2.gz AXHRPDQWJTWHRH-UHFFFAOYSA-N 1 1 256.604 3.623 10 0 CHAEMO Fc1ccc(C[N@H+]2CC=C(c3cccs3)CC2)cn1 ZINC000189375853 329380353 /nfs/dbraw/zinc/38/03/53/329380353.db2.gz KTYXMIUQGIDESS-UHFFFAOYSA-N 1 1 274.364 3.572 10 0 CHAEMO Fc1ccc(C[N@@H+]2CC=C(c3cccs3)CC2)cn1 ZINC000189375853 329380354 /nfs/dbraw/zinc/38/03/54/329380354.db2.gz KTYXMIUQGIDESS-UHFFFAOYSA-N 1 1 274.364 3.572 10 0 CHAEMO CCC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130760090 329627679 /nfs/dbraw/zinc/62/76/79/329627679.db2.gz KLJHZIUYUCDSRY-GOEBONIOSA-N 1 1 298.434 3.806 10 0 CHAEMO CCC[C@H](NC[C@H]1CCC[N@H+]1CC(C)C)c1ccccn1 ZINC000090773239 330395821 /nfs/dbraw/zinc/39/58/21/330395821.db2.gz UYNIPSMFBLQPSJ-SJORKVTESA-N 1 1 289.467 3.633 10 0 CHAEMO CCC[C@H]([NH2+]C[C@H]1CCCN1CC(C)C)c1ccccn1 ZINC000090773239 330395822 /nfs/dbraw/zinc/39/58/22/330395822.db2.gz UYNIPSMFBLQPSJ-SJORKVTESA-N 1 1 289.467 3.633 10 0 CHAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248184090 334296672 /nfs/dbraw/zinc/29/66/72/334296672.db2.gz WYRSAAAFOSVQAF-XNJGSVPQSA-N 1 1 295.373 3.653 10 0 CHAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248184087 334296792 /nfs/dbraw/zinc/29/67/92/334296792.db2.gz WYRSAAAFOSVQAF-IGCXYCKISA-N 1 1 295.373 3.653 10 0 CHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCc1ccc(Cl)cc1)CC2 ZINC000308450956 333031619 /nfs/dbraw/zinc/03/16/19/333031619.db2.gz NSNYWYJZYPDOSM-NVXWUHKLSA-N 1 1 293.838 3.510 10 0 CHAEMO CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000309783441 333049517 /nfs/dbraw/zinc/04/95/17/333049517.db2.gz LTSXXLRKRVSHOG-WDSOQIARSA-N 1 1 288.479 3.921 10 0 CHAEMO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000186420324 333160371 /nfs/dbraw/zinc/16/03/71/333160371.db2.gz QXDMBHZGESRCIA-HOCLYGCPSA-N 1 1 273.424 3.582 10 0 CHAEMO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000186420308 333160479 /nfs/dbraw/zinc/16/04/79/333160479.db2.gz QXDMBHZGESRCIA-ZBFHGGJFSA-N 1 1 273.424 3.582 10 0 CHAEMO Cc1cnc([C@H](C)[NH2+][C@H]2CCCc3ccccc32)o1 ZINC000220882104 333170099 /nfs/dbraw/zinc/17/00/99/333170099.db2.gz CMSDHVOEGNBLHL-WFASDCNBSA-N 1 1 256.349 3.711 10 0 CHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000195337220 333250715 /nfs/dbraw/zinc/25/07/15/333250715.db2.gz IBGBFSJFEKTLAE-CQSZACIVSA-N 1 1 290.407 3.970 10 0 CHAEMO OCC[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000227575105 333286124 /nfs/dbraw/zinc/28/61/24/333286124.db2.gz KLPCIQVYAAIZRL-LLVKDONJSA-N 1 1 295.835 3.759 10 0 CHAEMO Cc1nc([C@@H](C)[NH2+]Cc2ccsc2C)cs1 ZINC000339249817 335142778 /nfs/dbraw/zinc/14/27/78/335142778.db2.gz ZVAZCBXEXWNIGU-MRVPVSSYSA-N 1 1 252.408 3.672 10 0 CHAEMO CC1(C)Cc2cccc(C[NH2+][C@H]3COc4ccccc43)c2O1 ZINC000134269846 334086260 /nfs/dbraw/zinc/08/62/60/334086260.db2.gz GNIGTMGRVGISQD-INIZCTEOSA-N 1 1 295.382 3.623 10 0 CHAEMO CC[C@@H]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000080428867 334171180 /nfs/dbraw/zinc/17/11/80/334171180.db2.gz HYMVFNWPOSZZKN-QAPCUYQASA-N 1 1 288.435 3.509 10 0 CHAEMO C[C@H](C[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000247224814 334277768 /nfs/dbraw/zinc/27/77/68/334277768.db2.gz VWDAEAPUTSBXBI-PBHICJAKSA-N 1 1 269.392 3.740 10 0 CHAEMO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247955724 334292029 /nfs/dbraw/zinc/29/20/29/334292029.db2.gz FNVHIFXCWJUPDF-XNJGSVPQSA-N 1 1 295.373 3.653 10 0 CHAEMO CCCC[C@@H](CC)C[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000248856681 334319672 /nfs/dbraw/zinc/31/96/72/334319672.db2.gz DOMMMCCWSVEFOW-HZPDHXFCSA-N 1 1 292.471 3.694 10 0 CHAEMO CCC[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249255921 334330511 /nfs/dbraw/zinc/33/05/11/334330511.db2.gz GLPJRBDCAFTOFI-QWHCGFSZSA-N 1 1 252.427 3.820 10 0 CHAEMO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000380599012 336003217 /nfs/dbraw/zinc/00/32/17/336003217.db2.gz ZCRHVFOXBSJHTH-ILOCAZANSA-N 1 1 279.468 3.828 10 0 CHAEMO CCCN(CCC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052416674 521649408 /nfs/dbraw/zinc/64/94/08/521649408.db2.gz AZLDOVAWAGTDAZ-UHFFFAOYSA-N 1 1 283.485 3.653 10 0 CHAEMO CC(C)c1csc([C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000156521902 519857190 /nfs/dbraw/zinc/85/71/90/519857190.db2.gz CBRZDNSWNYQARW-ZDUSSCGKSA-N 1 1 264.438 3.856 10 0 CHAEMO CC(C)c1[nH+]c2cc(N)ccc2n1-c1ccccc1F ZINC000052842307 519869527 /nfs/dbraw/zinc/86/95/27/519869527.db2.gz GJNXLYYPUVDPPD-UHFFFAOYSA-N 1 1 269.323 3.870 10 0 CHAEMO CCC[C@H](NCC[NH+](CC)CC)c1cccs1 ZINC000049544783 521157322 /nfs/dbraw/zinc/15/73/22/521157322.db2.gz ZHZYWEYOGMXNBH-ZDUSSCGKSA-N 1 1 254.443 3.521 10 0 CHAEMO CCCc1ccc(NCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000052205508 521402893 /nfs/dbraw/zinc/40/28/93/521402893.db2.gz RIIOBCQHFAPSNP-KRWDZBQOSA-N 1 1 260.425 3.925 10 0 CHAEMO CC[N@H+]([C@H](CNCC(C)C)C(C)C)C1CCCC1 ZINC000052457548 521477216 /nfs/dbraw/zinc/47/72/16/521477216.db2.gz BCVCRGMTRFIXQR-MRXNPFEDSA-N 1 1 254.462 3.521 10 0 CHAEMO CC[N@@H+]([C@H](CNCC(C)C)C(C)C)C1CCCC1 ZINC000052457548 521477219 /nfs/dbraw/zinc/47/72/19/521477219.db2.gz BCVCRGMTRFIXQR-MRXNPFEDSA-N 1 1 254.462 3.521 10 0 CHAEMO CCc1ccccc1[C@@H](CN)[N@@H+](C)[C@@H](C)CC(C)C ZINC000052203816 521929507 /nfs/dbraw/zinc/92/95/07/521929507.db2.gz IZEVKGBRFATYJV-WMLDXEAASA-N 1 1 262.441 3.615 10 0 CHAEMO CCc1ccccc1[C@@H](C[NH3+])N(C)[C@@H](C)CC(C)C ZINC000052203816 521929514 /nfs/dbraw/zinc/92/95/14/521929514.db2.gz IZEVKGBRFATYJV-WMLDXEAASA-N 1 1 262.441 3.615 10 0 CHAEMO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C)C1)c1cccs1 ZINC000049529331 522911312 /nfs/dbraw/zinc/91/13/12/522911312.db2.gz RRQMZSLJLZZCED-BFHYXJOUSA-N 1 1 266.454 3.519 10 0 CHAEMO C[C@H]1CCC[C@@H]([N@H+]2CCCN[C@H](c3ccccc3)C2)C1 ZINC000062666578 524144403 /nfs/dbraw/zinc/14/44/03/524144403.db2.gz NLEJSRFQDHZAFS-JQHSSLGASA-N 1 1 272.436 3.602 10 0 CHAEMO COc1ccc(Cl)cc1NCC[C@@H]1CCCC[N@H+]1C ZINC000052205285 524244653 /nfs/dbraw/zinc/24/46/53/524244653.db2.gz KAJMATPUQBVOLC-ZDUSSCGKSA-N 1 1 282.815 3.635 10 0 CHAEMO Cc1cccc(C[N@@H+]2CC(C)(C)NC[C@H]2CC(C)C)c1 ZINC000062668215 524387452 /nfs/dbraw/zinc/38/74/52/524387452.db2.gz QEWMTHJRJDIIAA-QGZVFWFLSA-N 1 1 274.452 3.594 10 0 CHAEMO Cc1cccc(CN2CC(C)(C)[NH2+]C[C@H]2CC(C)C)c1 ZINC000062668215 524387459 /nfs/dbraw/zinc/38/74/59/524387459.db2.gz QEWMTHJRJDIIAA-QGZVFWFLSA-N 1 1 274.452 3.594 10 0 CHAEMO C[C@@H]1CCC[C@H]([N@H+]2CC(C)(C)NC[C@@H]2c2ccccc2)C1 ZINC000062673051 524391444 /nfs/dbraw/zinc/39/14/44/524391444.db2.gz SIXKTXZDCOUARB-BPQIPLTHSA-N 1 1 286.463 3.990 10 0 CHAEMO C[C@H](C[NH2+]C(C)(C)C)CN(C)Cc1cccc(Cl)c1 ZINC000052508020 524475980 /nfs/dbraw/zinc/47/59/80/524475980.db2.gz IPCWRKYGJOQYRG-CYBMUJFWSA-N 1 1 282.859 3.796 10 0 CHAEMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551632 524479575 /nfs/dbraw/zinc/47/95/75/524479575.db2.gz QBQPBRRZTDANJC-SOUVJXGZSA-N 1 1 254.462 3.521 10 0 CHAEMO Cc1ccc(CNC2=[NH+][C@@H](c3ccccc3)CS2)s1 ZINC000063002886 524571369 /nfs/dbraw/zinc/57/13/69/524571369.db2.gz ALFMQMHZVXJCBS-CQSZACIVSA-N 1 1 288.441 3.990 10 0 CHAEMO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ncc[nH]1 ZINC000138912262 525531205 /nfs/dbraw/zinc/53/12/05/525531205.db2.gz ZKCUXHVSWCTGET-IUCAKERBSA-N 1 1 267.735 3.614 10 0 CHAEMO C[C@@H](c1cccs1)[N@@H+](C)CCc1ccccc1N ZINC000052918535 526143770 /nfs/dbraw/zinc/14/37/70/526143770.db2.gz FDHXORTUXUIFOA-LBPRGKRZSA-N 1 1 260.406 3.566 10 0 CHAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000156981294 526442861 /nfs/dbraw/zinc/44/28/61/526442861.db2.gz YYBCHTMCADBULZ-AWEZNQCLSA-N 1 1 290.407 3.970 10 0 CHAEMO Nc1ccc2c(c1)[nH+]cn2Cc1ccc(C(F)(F)F)cc1 ZINC000061627534 527508879 /nfs/dbraw/zinc/50/88/79/527508879.db2.gz JVYYRRLZLBTELS-UHFFFAOYSA-N 1 1 291.276 3.686 10 0 CHAEMO CCC(C)(C)C1CCC2(CC1)[C@@H](N)CC[N@@H+]2C(C)C ZINC000712012439 567836748 /nfs/dbraw/zinc/83/67/48/567836748.db2.gz NRLHFVAKPXFJQH-CKDBGZEDSA-N 1 1 266.473 3.793 10 0 CHAEMO CCC(C)(C)C1CCC2(CC1)[C@@H](N)CC[N@H+]2C(C)C ZINC000712012439 567836749 /nfs/dbraw/zinc/83/67/49/567836749.db2.gz NRLHFVAKPXFJQH-CKDBGZEDSA-N 1 1 266.473 3.793 10 0 CHAEMO CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](O)C2 ZINC000005955089 560203971 /nfs/dbraw/zinc/20/39/71/560203971.db2.gz HONLKDDLTAZVQV-NZSAHSFTSA-N 1 1 296.414 3.625 10 0 in-vitro CHAEMO CC[C@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](O)C2 ZINC000005955089 560203972 /nfs/dbraw/zinc/20/39/72/560203972.db2.gz HONLKDDLTAZVQV-NZSAHSFTSA-N 1 1 296.414 3.625 10 0 in-vitro CHAEMO Cc1ccc(C[N@H+](C[C@@H](O)c2ccccc2)C(C)C)cc1 ZINC000036101783 566994613 /nfs/dbraw/zinc/99/46/13/566994613.db2.gz DILINDYXOZJZJE-LJQANCHMSA-N 1 1 283.415 3.939 10 0 CHAEMO CC[N@@H+]1CCC(=O)C12CCC(C(C)(C)CC)CC2 ZINC000711933732 567836980 /nfs/dbraw/zinc/83/69/80/567836980.db2.gz PPUKBUPLICRJDN-UHFFFAOYSA-N 1 1 251.414 3.646 10 0 CHAEMO CC[N@H+]1CCC(=O)C12CCC(C(C)(C)CC)CC2 ZINC000711933732 567836981 /nfs/dbraw/zinc/83/69/81/567836981.db2.gz PPUKBUPLICRJDN-UHFFFAOYSA-N 1 1 251.414 3.646 10 0 CHAEMO CC(C)(C)[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000090770497 180038165 /nfs/dbraw/zinc/03/81/65/180038165.db2.gz IIEXZPDGBVEEDO-ZDUSSCGKSA-N 1 1 298.224 3.621 10 0 CHAEMO FC(F)(F)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000091368449 180143244 /nfs/dbraw/zinc/14/32/44/180143244.db2.gz QWMDCEXQXXIPGH-UHFFFAOYSA-N 1 1 292.304 3.659 10 0 CHAEMO FC(F)(F)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000091368449 180143246 /nfs/dbraw/zinc/14/32/46/180143246.db2.gz QWMDCEXQXXIPGH-UHFFFAOYSA-N 1 1 292.304 3.659 10 0 CHAEMO CCCCCC[C@@](C)(CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362589 171161805 /nfs/dbraw/zinc/16/18/05/171161805.db2.gz RTVIDVMNVCVMHZ-XHSDSOJGSA-N 1 1 254.462 3.652 10 0 CHAEMO Nc1ccc[nH+]c1NCCc1ccc(Cl)cc1Cl ZINC000020383229 171173272 /nfs/dbraw/zinc/17/32/72/171173272.db2.gz KWSHBMCIDNUGDN-UHFFFAOYSA-N 1 1 282.174 3.625 10 0 CHAEMO CCCCN(CCCC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000020484734 171224663 /nfs/dbraw/zinc/22/46/63/171224663.db2.gz RNGMUFCXIVQHGC-MRXNPFEDSA-N 1 1 266.404 3.728 10 0 CHAEMO CCC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([N@H+]2CCC[C@@H](C)C2)C1 ZINC000020548636 171245822 /nfs/dbraw/zinc/24/58/22/171245822.db2.gz KMXNUYHITSISNT-WCVJEAGWSA-N 1 1 266.473 3.651 10 0 CHAEMO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](N2CCC[C@@H](C)C2)C1 ZINC000020548636 171245823 /nfs/dbraw/zinc/24/58/23/171245823.db2.gz KMXNUYHITSISNT-WCVJEAGWSA-N 1 1 266.473 3.651 10 0 CHAEMO Cc1cc(F)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595914 171264252 /nfs/dbraw/zinc/26/42/52/171264252.db2.gz JGADQEDISXQSOL-QGZVFWFLSA-N 1 1 284.378 3.821 10 0 CHAEMO Fc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020595867 171264659 /nfs/dbraw/zinc/26/46/59/171264659.db2.gz IPBPSIKVMHBMCH-QGZVFWFLSA-N 1 1 270.351 3.512 10 0 CHAEMO COc1c(Cl)cc(C[NH2+]Cc2ccco2)cc1Cl ZINC000020928520 171280323 /nfs/dbraw/zinc/28/03/23/171280323.db2.gz GRLAJDALDOJGLN-UHFFFAOYSA-N 1 1 286.158 3.885 10 0 CHAEMO C[C@@H]1CCCC[N@H+]1C1(CN)CCC(c2ccccc2)CC1 ZINC000021012168 171287488 /nfs/dbraw/zinc/28/74/88/171287488.db2.gz CIPSCAWMAZLHBV-IPJUCJBFSA-N 1 1 286.463 3.916 10 0 CHAEMO CC[N@@H+](C[C@@H](N)c1ccc(C)cc1C)C1CCCCC1 ZINC000021047527 171294480 /nfs/dbraw/zinc/29/44/80/171294480.db2.gz YJSPVRJCCMBABU-GOSISDBHSA-N 1 1 274.452 3.958 10 0 CHAEMO N[C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCC1 ZINC000021511248 171310672 /nfs/dbraw/zinc/31/06/72/171310672.db2.gz RJUMBKUDPZXRPG-HZPDHXFCSA-N 1 1 252.446 3.693 10 0 CHAEMO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021513429 171311207 /nfs/dbraw/zinc/31/12/07/171311207.db2.gz VQXXZKPPMIZYOW-MVJTYMMSSA-N 1 1 274.452 3.689 10 0 CHAEMO CC(C)[C@@H](CN[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC000021518973 171314953 /nfs/dbraw/zinc/31/49/53/171314953.db2.gz JTMRHKBOXZWLCW-SWLSCSKDSA-N 1 1 268.832 3.577 10 0 CHAEMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(F)cc1Cl ZINC000021789460 171323494 /nfs/dbraw/zinc/32/34/94/171323494.db2.gz HMYRWLFNLCMUFA-ZDUSSCGKSA-N 1 1 298.833 3.833 10 0 CHAEMO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000022221696 171378221 /nfs/dbraw/zinc/37/82/21/171378221.db2.gz OVEUSKGLFQTZBF-AWEZNQCLSA-N 1 1 286.341 3.581 10 0 CHAEMO C[NH2+][C@@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035463972 172211375 /nfs/dbraw/zinc/21/13/75/172211375.db2.gz YBGYSMKCQJTJEA-AWEZNQCLSA-N 1 1 267.706 3.927 10 0 CHAEMO C[NH2+][C@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035498285 172231935 /nfs/dbraw/zinc/23/19/35/172231935.db2.gz VFKBNOBWYXICCG-GFCCVEGCSA-N 1 1 273.735 3.989 10 0 CHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](C)Cc1ccsc1 ZINC000035719083 172372743 /nfs/dbraw/zinc/37/27/43/172372743.db2.gz YOYREZVYFDPOHB-HIFRSBDPSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+](C)Cc1ccsc1 ZINC000035719083 172372746 /nfs/dbraw/zinc/37/27/46/172372746.db2.gz YOYREZVYFDPOHB-HIFRSBDPSA-N 1 1 268.470 3.724 10 0 CHAEMO C[N@H+](Cc1ccsc1)C1(CN)CCCCCCC1 ZINC000035719046 172372780 /nfs/dbraw/zinc/37/27/80/172372780.db2.gz UDLBMRGJTFEKCJ-UHFFFAOYSA-N 1 1 266.454 3.622 10 0 CHAEMO C[N@@H+](Cc1ccsc1)C1(CN)CCCCCCC1 ZINC000035719046 172372784 /nfs/dbraw/zinc/37/27/84/172372784.db2.gz UDLBMRGJTFEKCJ-UHFFFAOYSA-N 1 1 266.454 3.622 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@H+](C)Cc1ccsc1 ZINC000035719085 172373288 /nfs/dbraw/zinc/37/32/88/172373288.db2.gz YOYREZVYFDPOHB-ZFWWWQNUSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](C)Cc1ccsc1 ZINC000035719085 172373290 /nfs/dbraw/zinc/37/32/90/172373290.db2.gz YOYREZVYFDPOHB-ZFWWWQNUSA-N 1 1 268.470 3.724 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccco1 ZINC000035738809 172392811 /nfs/dbraw/zinc/39/28/11/172392811.db2.gz DOLCZTXHBZTWRN-NXEZZACHSA-N 1 1 251.276 3.970 10 0 CHAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccccc2SC)C1 ZINC000036957171 172827600 /nfs/dbraw/zinc/82/76/00/172827600.db2.gz ANOXJRJPRXBLJR-KGLIPLIRSA-N 1 1 278.465 3.941 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCCN(C)C1 ZINC000037220190 173038407 /nfs/dbraw/zinc/03/84/07/173038407.db2.gz KVYKLFJHDWFYKU-GZBFAFLISA-N 1 1 280.843 3.721 10 0 CHAEMO CC(C)c1cccc(N[C@@H](C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000037221055 173041118 /nfs/dbraw/zinc/04/11/18/173041118.db2.gz AEKKEOPWAKARAO-HOCLYGCPSA-N 1 1 260.425 3.952 10 0 CHAEMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037337209 173138335 /nfs/dbraw/zinc/13/83/35/173138335.db2.gz RPBLXOYFUBESEV-DOMZBBRYSA-N 1 1 261.409 3.853 10 0 CHAEMO CC[N@@H+]([C@@H](C)C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000037337419 173138713 /nfs/dbraw/zinc/13/87/13/173138713.db2.gz LIXPNAKKIYQMFO-LBPRGKRZSA-N 1 1 263.356 3.661 10 0 CHAEMO CCc1ccc(C(=O)[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037339099 173140699 /nfs/dbraw/zinc/14/06/99/173140699.db2.gz GUVMUASEUJPHPB-UONOGXRCSA-N 1 1 261.409 3.797 10 0 CHAEMO CCc1ccc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032690 174028205 /nfs/dbraw/zinc/02/82/05/174028205.db2.gz FEGSDZAIHKEKQP-AWEZNQCLSA-N 1 1 280.415 3.951 10 0 CHAEMO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCc3c(N)cccc3C2)o1 ZINC000038032635 174028303 /nfs/dbraw/zinc/02/83/03/174028303.db2.gz UBEFWMWDFRWMJK-BLLLJJGKSA-N 1 1 282.387 3.544 10 0 CHAEMO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032657 174028463 /nfs/dbraw/zinc/02/84/63/174028463.db2.gz GLODPGDWLBRTLN-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@H](c1ccc(F)cc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032657 174028465 /nfs/dbraw/zinc/02/84/65/174028465.db2.gz GLODPGDWLBRTLN-LLVKDONJSA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032656 174028688 /nfs/dbraw/zinc/02/86/88/174028688.db2.gz GLODPGDWLBRTLN-NSHDSACASA-N 1 1 288.341 3.666 10 0 CHAEMO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032656 174028689 /nfs/dbraw/zinc/02/86/89/174028689.db2.gz GLODPGDWLBRTLN-NSHDSACASA-N 1 1 288.341 3.666 10 0 CHAEMO C[N@@H+]1Cc2sc(Cl)cc2[C@H](c2ccccc2)C1 ZINC000038157540 174134602 /nfs/dbraw/zinc/13/46/02/174134602.db2.gz OGVSUHXTKAMGTR-LBPRGKRZSA-N 1 1 263.793 3.979 10 0 CHAEMO OC[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000039174551 174165234 /nfs/dbraw/zinc/16/52/34/174165234.db2.gz CHORGEUAVDKAHW-WOJBJXKFSA-N 1 1 295.426 3.817 10 0 CHAEMO CC[NH+](CC)[C@@H](CN)c1ccc(OCc2ccccc2)cc1 ZINC000039789191 174173121 /nfs/dbraw/zinc/17/31/21/174173121.db2.gz KCPUFGQXDMCDOM-IBGZPJMESA-N 1 1 298.430 3.607 10 0 CHAEMO Cc1ccc([C@H](O)C[N@H+](C)C2CCCCC2)cc1C ZINC000043501822 175058694 /nfs/dbraw/zinc/05/86/94/175058694.db2.gz FQSZLWLQUKFRFY-QGZVFWFLSA-N 1 1 261.409 3.601 10 0 CHAEMO Cc1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000044121717 175143232 /nfs/dbraw/zinc/14/32/32/175143232.db2.gz CIAZBFBNTVVFDO-UXLLHSPISA-N 1 1 261.409 3.600 10 0 CHAEMO CC[NH2+][C@H](C)CN(C1CCCCC1)C1CCCCC1 ZINC000044471747 175178241 /nfs/dbraw/zinc/17/82/41/175178241.db2.gz SBQGULKKCJIHLC-OAHLLOKOSA-N 1 1 266.473 3.952 10 0 CHAEMO C[C@@H](C(=O)c1cccc(Cl)c1)[N@@H+](C)C(C)(C)C ZINC000045302420 175354821 /nfs/dbraw/zinc/35/48/21/175354821.db2.gz BJLKZFUZNNATGZ-JTQLQIEISA-N 1 1 253.773 3.642 10 0 in-vitro CHAEMO Cc1nccc([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000072385356 176390050 /nfs/dbraw/zinc/39/00/50/176390050.db2.gz YKCNLRYURGDBLV-QGZVFWFLSA-N 1 1 285.366 3.651 10 0 CHAEMO Cc1nccc([C@H]2CCCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000072385356 176390051 /nfs/dbraw/zinc/39/00/51/176390051.db2.gz YKCNLRYURGDBLV-QGZVFWFLSA-N 1 1 285.366 3.651 10 0 CHAEMO Cc1cc([C@H](C)N[C@H](CC(C)C)C[NH+](C)C)c(C)o1 ZINC000037167326 260072015 /nfs/dbraw/zinc/07/20/15/260072015.db2.gz IKVMESVNXYJLGB-DZGCQCFKSA-N 1 1 266.429 3.523 10 0 CHAEMO C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCS1 ZINC000171699603 335075190 /nfs/dbraw/zinc/07/51/90/335075190.db2.gz SBJUERYZUFRMKY-GFCCVEGCSA-N 1 1 290.457 3.747 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCC1CCCCC1)CC2 ZINC000311363196 260243584 /nfs/dbraw/zinc/24/35/84/260243584.db2.gz CDHNYLMWKNQVRY-SJORKVTESA-N 1 1 265.441 3.584 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)cn1 ZINC000092195742 260267496 /nfs/dbraw/zinc/26/74/96/260267496.db2.gz RQNRBADSLSLEQT-VHSXEESVSA-N 1 1 280.293 3.911 10 0 CHAEMO Fc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1Cl ZINC000129014363 260380517 /nfs/dbraw/zinc/38/05/17/260380517.db2.gz AZSDUZWUCMNQCR-AWEZNQCLSA-N 1 1 277.726 3.702 10 0 CHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000106216137 261323762 /nfs/dbraw/zinc/32/37/62/261323762.db2.gz POGVUZJSCOOAIP-QGZVFWFLSA-N 1 1 283.419 3.591 10 0 CHAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccnc(Cl)c1 ZINC000302020144 261345781 /nfs/dbraw/zinc/34/57/81/261345781.db2.gz NMFCCAQDJXQWLL-ZDUSSCGKSA-N 1 1 289.810 3.667 10 0 CHAEMO Cc1ccc([C@H](C)NCC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000094955365 265278798 /nfs/dbraw/zinc/27/87/98/265278798.db2.gz JVRMJRNIYQRYIZ-HOCLYGCPSA-N 1 1 278.415 3.659 10 0 CHAEMO Cc1ccc([C@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000094955365 265278800 /nfs/dbraw/zinc/27/88/00/265278800.db2.gz JVRMJRNIYQRYIZ-HOCLYGCPSA-N 1 1 278.415 3.659 10 0 CHAEMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c1C ZINC000116290349 267135713 /nfs/dbraw/zinc/13/57/13/267135713.db2.gz MFNUREJAMCWNRC-INIZCTEOSA-N 1 1 298.386 3.672 10 0 CHAEMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c1C ZINC000116290349 267135715 /nfs/dbraw/zinc/13/57/15/267135715.db2.gz MFNUREJAMCWNRC-INIZCTEOSA-N 1 1 298.386 3.672 10 0 CHAEMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C1CCCC1)CCC2 ZINC000120141459 267387037 /nfs/dbraw/zinc/38/70/37/267387037.db2.gz ZKHNQEHHUATINL-ZDUSSCGKSA-N 1 1 250.411 3.703 10 0 CHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1cccc(F)c1Cl)CC2 ZINC000093190917 328261302 /nfs/dbraw/zinc/26/13/02/328261302.db2.gz AYHZTMVOAPJWNO-CZUORRHYSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@@H+](C/C=C\c3ccc(F)cc3)C2)c1 ZINC000255838990 327019759 /nfs/dbraw/zinc/01/97/59/327019759.db2.gz ISDCCBNVROYUMQ-HCABJEFNSA-N 1 1 299.393 3.681 10 0 CHAEMO Cc1cc(N[C@H](C)c2ccc(Cl)s2)nc(C)[nH+]1 ZINC000042240377 328762741 /nfs/dbraw/zinc/76/27/41/328762741.db2.gz YQHHFISSSBBMRX-MRVPVSSYSA-N 1 1 267.785 3.981 10 0 CHAEMO CCc1csc([C@H]2CCC[N@@H+](CCCOC(C)C)C2)n1 ZINC000171500975 329076663 /nfs/dbraw/zinc/07/66/63/329076663.db2.gz HRSIPDQRWNEDOC-AWEZNQCLSA-N 1 1 296.480 3.700 10 0 CHAEMO Cc1ccc(-c2cc(C[N@H+]3CCS[C@H](C)C3)on2)cc1 ZINC000171690895 329078677 /nfs/dbraw/zinc/07/86/77/329078677.db2.gz DHHGQSZNESCCSV-CYBMUJFWSA-N 1 1 288.416 3.587 10 0 CHAEMO CCC[N@@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173585025 329149601 /nfs/dbraw/zinc/14/96/01/329149601.db2.gz IOYIKMDIJZQVBW-UHFFFAOYSA-N 1 1 264.756 3.837 10 0 CHAEMO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ncc[nH]1 ZINC000139000615 329678688 /nfs/dbraw/zinc/67/86/88/329678688.db2.gz XSXFNUXZTLEIRJ-VHSXEESVSA-N 1 1 294.196 3.584 10 0 CHAEMO C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccoc1 ZINC000379615834 330142054 /nfs/dbraw/zinc/14/20/54/330142054.db2.gz BGCGPCNCNJUMBA-QFBILLFUSA-N 1 1 298.430 3.985 10 0 CHAEMO C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccoc1 ZINC000379615834 330142055 /nfs/dbraw/zinc/14/20/55/330142055.db2.gz BGCGPCNCNJUMBA-QFBILLFUSA-N 1 1 298.430 3.985 10 0 CHAEMO Cc1cc(C(C)(C)C)cc(C)c1CN(C)C1CC[NH2+]CC1 ZINC000036301110 330253839 /nfs/dbraw/zinc/25/38/39/330253839.db2.gz FLKGKAYIZWHMCD-UHFFFAOYSA-N 1 1 288.479 3.785 10 0 CHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000116878935 330361118 /nfs/dbraw/zinc/36/11/18/330361118.db2.gz XQMCNYUPZDKABI-RDTXWAMCSA-N 1 1 297.446 3.978 10 0 CHAEMO CC[N@@H+](Cc1nccn1C(C)C)[C@H]1CCCC[C@@H]1C ZINC000120106576 330384536 /nfs/dbraw/zinc/38/45/36/330384536.db2.gz NUGBIHUOHLCFRK-GJZGRUSLSA-N 1 1 263.429 3.865 10 0 CHAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccsc1 ZINC000090773386 330395759 /nfs/dbraw/zinc/39/57/59/330395759.db2.gz APBBKTAAQMVIGE-DZGCQCFKSA-N 1 1 266.454 3.519 10 0 CHAEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccsc1 ZINC000090773386 330395760 /nfs/dbraw/zinc/39/57/60/330395760.db2.gz APBBKTAAQMVIGE-DZGCQCFKSA-N 1 1 266.454 3.519 10 0 CHAEMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000163648833 331065355 /nfs/dbraw/zinc/06/53/55/331065355.db2.gz RRTRJBIONDPDES-OAHLLOKOSA-N 1 1 258.409 3.523 10 0 CHAEMO CCc1csc([C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000195377433 331172718 /nfs/dbraw/zinc/17/27/18/331172718.db2.gz KIWYECZKXHZADK-GFCCVEGCSA-N 1 1 252.427 3.541 10 0 CHAEMO C[C@@]1(CN(Cc2ccccc2)Cc2ccccc2)CC[NH2+]C1 ZINC000307160755 333012784 /nfs/dbraw/zinc/01/27/84/333012784.db2.gz DWVPNSMAHNRPHM-HXUWFJFHSA-N 1 1 294.442 3.688 10 0 CHAEMO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000311288367 333066650 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Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cs3)C2)c1 ZINC000194389186 333270449 /nfs/dbraw/zinc/27/04/49/333270449.db2.gz SGOWIMOLZPFSSO-CYBMUJFWSA-N 1 1 295.839 3.744 10 0 CHAEMO OCC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000227567931 333286004 /nfs/dbraw/zinc/28/60/04/333286004.db2.gz AMHIMVRFFSRKTL-KRWDZBQOSA-N 1 1 281.399 3.558 10 0 CHAEMO CC[N@@H+]1CCC[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000229189928 333301323 /nfs/dbraw/zinc/30/13/23/333301323.db2.gz UIDXIBCEQITNTQ-CYBMUJFWSA-N 1 1 287.234 3.567 10 0 CHAEMO CC[N@H+]1CCC[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000229189928 333301324 /nfs/dbraw/zinc/30/13/24/333301324.db2.gz UIDXIBCEQITNTQ-CYBMUJFWSA-N 1 1 287.234 3.567 10 0 CHAEMO FC(F)(F)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250233676 333303648 /nfs/dbraw/zinc/30/36/48/333303648.db2.gz CDMILAAKULCQLL-KGLIPLIRSA-N 1 1 284.325 3.744 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000248072840 334294414 /nfs/dbraw/zinc/29/44/14/334294414.db2.gz MRHFDSNUDLUIML-NEWSRXKRSA-N 1 1 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/nfs/dbraw/zinc/37/65/53/334376553.db2.gz PYKXMUYGXVAXJC-PBHICJAKSA-N 1 1 294.870 3.969 10 0 CHAEMO CC(C)[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000091335722 334376555 /nfs/dbraw/zinc/37/65/55/334376555.db2.gz PYKXMUYGXVAXJC-PBHICJAKSA-N 1 1 294.870 3.969 10 0 CHAEMO CC(C)[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccc1Cl ZINC000091335722 334376557 /nfs/dbraw/zinc/37/65/57/334376557.db2.gz PYKXMUYGXVAXJC-PBHICJAKSA-N 1 1 294.870 3.969 10 0 CHAEMO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H]1C=CCCCCC1 ZINC000383499401 336111068 /nfs/dbraw/zinc/11/10/68/336111068.db2.gz ZMYJGFCJGAZNSI-BRSBDYLESA-N 1 1 277.452 3.891 10 0 CHAEMO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC1CCCCC1 ZINC000383549535 336113713 /nfs/dbraw/zinc/11/37/13/336113713.db2.gz SEBIWVXQHZFLLO-RCCFBDPRSA-N 1 1 279.468 3.972 10 0 CHAEMO CC(C)c1csc([C@@H]([NH3+])c2cc(F)c(F)c(F)c2)n1 ZINC000062719440 519856699 /nfs/dbraw/zinc/85/66/99/519856699.db2.gz HIEVXNBSNLQKDK-LBPRGKRZSA-N 1 1 286.322 3.732 10 0 CHAEMO CC[N@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccsc2)C1 ZINC000061361147 521650538 /nfs/dbraw/zinc/65/05/38/521650538.db2.gz RBUJALNTLVDUCD-RDBSUJKOSA-N 1 1 266.454 3.519 10 0 CHAEMO Brc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]32)nc1 ZINC000228880730 518211112 /nfs/dbraw/zinc/21/11/12/518211112.db2.gz IWTXKXUHQFILSJ-BXUZGUMPSA-N 1 1 295.224 3.609 10 0 CHAEMO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@H+]1C1CCCCC1 ZINC000062663212 519415567 /nfs/dbraw/zinc/41/55/67/519415567.db2.gz GYKUNEHVVSUGLH-IRXDYDNUSA-N 1 1 266.473 3.664 10 0 CHAEMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cc2)C1 ZINC000054186860 519688300 /nfs/dbraw/zinc/68/83/00/519688300.db2.gz GAKZQPAHNHBJSR-GFCCVEGCSA-N 1 1 286.341 3.848 10 0 CHAEMO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000139043335 519839969 /nfs/dbraw/zinc/83/99/69/519839969.db2.gz UKWSKWZCENOIKS-STQMWFEESA-N 1 1 257.381 3.945 10 0 CHAEMO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)no1 ZINC000127769864 519867139 /nfs/dbraw/zinc/86/71/39/519867139.db2.gz FLBLOFRUXUNUJT-KBPBESRZSA-N 1 1 275.396 3.686 10 0 CHAEMO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)no1 ZINC000127769864 519867142 /nfs/dbraw/zinc/86/71/42/519867142.db2.gz FLBLOFRUXUNUJT-KBPBESRZSA-N 1 1 275.396 3.686 10 0 CHAEMO CCCCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000062625633 520079036 /nfs/dbraw/zinc/07/90/36/520079036.db2.gz BMSZKFPSYGMEHF-JKSUJKDBSA-N 1 1 254.462 3.521 10 0 CHAEMO CCCCCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062625633 520079041 /nfs/dbraw/zinc/07/90/41/520079041.db2.gz BMSZKFPSYGMEHF-JKSUJKDBSA-N 1 1 254.462 3.521 10 0 CHAEMO CCCNc1ccc(Cl)c(C[N@@H+](CC)CCC)n1 ZINC000061631023 520161316 /nfs/dbraw/zinc/16/13/16/520161316.db2.gz UUULDDGFROZELQ-UHFFFAOYSA-N 1 1 269.820 3.789 10 0 CHAEMO CCCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062668272 520183229 /nfs/dbraw/zinc/18/32/29/520183229.db2.gz CJIZSQCWLZPTFA-ZWKOTPCHSA-N 1 1 274.452 3.848 10 0 CHAEMO CCCCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062668272 520183237 /nfs/dbraw/zinc/18/32/37/520183237.db2.gz CJIZSQCWLZPTFA-ZWKOTPCHSA-N 1 1 274.452 3.848 10 0 CHAEMO CC[NH2+][C@H](c1nc(C)cs1)c1cc(F)c(F)c(F)c1 ZINC000062719651 520211900 /nfs/dbraw/zinc/21/19/00/520211900.db2.gz VUFKZVVKGHZMGP-LBPRGKRZSA-N 1 1 286.322 3.568 10 0 CHAEMO CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561131 521035387 /nfs/dbraw/zinc/03/53/87/521035387.db2.gz NDAIDNFPTMMFLK-FZKCQIBNSA-N 1 1 255.446 3.540 10 0 CHAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2cccc(F)c2)[nH]1 ZINC000088398822 521300774 /nfs/dbraw/zinc/30/07/74/521300774.db2.gz UEDHTZRCLHZWQW-UHFFFAOYSA-N 1 1 295.789 3.835 10 0 CHAEMO CCC[N@@H+](CC1CC1)[C@H](CC(N)=S)c1ccccc1 ZINC000055025073 521627110 /nfs/dbraw/zinc/62/71/10/521627110.db2.gz IEANUJRPSGYXLZ-OAHLLOKOSA-N 1 1 276.449 3.526 10 0 CHAEMO CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccsc2)C1 ZINC000061361147 521650534 /nfs/dbraw/zinc/65/05/34/521650534.db2.gz RBUJALNTLVDUCD-RDBSUJKOSA-N 1 1 266.454 3.519 10 0 CHAEMO CCCN(Cc1csc(C[NH2+]CC(C)C)n1)C(C)C ZINC000052450094 521692866 /nfs/dbraw/zinc/69/28/66/521692866.db2.gz DHRRLAFDCDGNAO-UHFFFAOYSA-N 1 1 283.485 3.509 10 0 CHAEMO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C)C1CCCCC1 ZINC000052338738 522839267 /nfs/dbraw/zinc/83/92/67/522839267.db2.gz WEQLYTXJCQBLJR-DLBZAZTESA-N 1 1 266.473 3.809 10 0 CHAEMO C[N@@H+]([C@@H](CC(N)=S)c1ccccc1)C1CCCCC1 ZINC000055024486 523624476 /nfs/dbraw/zinc/62/44/76/523624476.db2.gz XXUNREYGJHTPNR-HNNXBMFYSA-N 1 1 276.449 3.668 10 0 CHAEMO COc1ccc(Cl)cc1NCC[C@H]1CCCC[N@H+]1C ZINC000052205283 524243430 /nfs/dbraw/zinc/24/34/30/524243430.db2.gz KAJMATPUQBVOLC-CYBMUJFWSA-N 1 1 282.815 3.635 10 0 CHAEMO Cc1ccccc1CN(C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052547159 525131263 /nfs/dbraw/zinc/13/12/63/525131263.db2.gz UZVMWWBEDYKJMC-HNNXBMFYSA-N 1 1 262.441 3.594 10 0 CHAEMO Cc1ccccc1C[N@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000062671250 525140110 /nfs/dbraw/zinc/14/01/10/525140110.db2.gz VXGUVDUSIQWXHT-LJQANCHMSA-N 1 1 280.415 3.532 10 0 CHAEMO COc1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000120422467 525335499 /nfs/dbraw/zinc/33/54/99/525335499.db2.gz OCSLBUJUMZWSSH-HNAYVOBHSA-N 1 1 298.430 3.649 10 0 CHAEMO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccsc1 ZINC000050338856 525539621 /nfs/dbraw/zinc/53/96/21/525539621.db2.gz PBWJYGLMXYIGRV-BBRMVZONSA-N 1 1 274.433 3.702 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)c1cc[nH]n1 ZINC000049515657 525657943 /nfs/dbraw/zinc/65/79/43/525657943.db2.gz LPBQCMYHEVEYIQ-NXEZZACHSA-N 1 1 294.196 3.584 10 0 CHAEMO Cc1ccc([C@H](C)[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 ZINC000054601234 525883612 /nfs/dbraw/zinc/88/36/12/525883612.db2.gz JXMXREBFBFQHHR-CWRNSKLLSA-N 1 1 257.377 3.642 10 0 CHAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cccnc2)o1 ZINC000130942843 525995674 /nfs/dbraw/zinc/99/56/74/525995674.db2.gz BZBSYBOJCJYTPG-OAHLLOKOSA-N 1 1 256.349 3.710 10 0 CHAEMO CSc1ccc(NCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000052205227 526042648 /nfs/dbraw/zinc/04/26/48/526042648.db2.gz DQHPRHKOPDJNFP-AWEZNQCLSA-N 1 1 264.438 3.695 10 0 CHAEMO Cc1n[nH]c(C)c1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000041474825 526497460 /nfs/dbraw/zinc/49/74/60/526497460.db2.gz AQWIOESLXFNQGK-UHFFFAOYSA-N 1 1 286.766 3.840 10 0 CHAEMO Cc1[nH+]c2cc(N)ccc2n1-c1ccc(C(F)(F)F)cc1 ZINC000052842940 527121706 /nfs/dbraw/zinc/12/17/06/527121706.db2.gz GHRUEZUKLFXVTN-UHFFFAOYSA-N 1 1 291.276 3.935 10 0 CHAEMO Cc1[nH+]c2cc(N)ccc2n1-c1ccc(Cl)cc1F ZINC000052855363 527121793 /nfs/dbraw/zinc/12/17/93/527121793.db2.gz JXBUMHNZAKMWPK-UHFFFAOYSA-N 1 1 275.714 3.709 10 0 CHAEMO C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[NH+](C)C ZINC000006020070 560204416 /nfs/dbraw/zinc/20/44/16/560204416.db2.gz POZJNEBUHLZROM-LBPRGKRZSA-N 1 1 298.411 3.766 10 0 in-vitro CHAEMO CC[NH+](CC)Cc1nc(Cl)c2c(n1)CC[C@@H](C(C)C)C2 ZINC000616569959 570408740 /nfs/dbraw/zinc/40/87/40/570408740.db2.gz ZBZMPLBRHFXXJF-GFCCVEGCSA-N 1 1 295.858 3.733 10 0 CHAEMO Cc1nc([C@@H]2CCC[N@H+]2CCc2scnc2C)cs1 ZINC000189755034 1126935416 /nfs/dbraw/zinc/93/54/16/1126935416.db2.gz YHKTVIXBZBEDKB-ZDUSSCGKSA-N 1 1 293.461 3.596 10 0 CHAEMO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1ccccc1-n1cccn1 ZINC000588382570 1118480544 /nfs/dbraw/zinc/48/05/44/1118480544.db2.gz PGPIHYNYQPWFCP-LWMMSDEHSA-N 1 1 296.201 3.842 10 0 CHAEMO COCCCCC[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000103227342 1123783299 /nfs/dbraw/zinc/78/32/99/1123783299.db2.gz RUZYLIHIMWOZOM-KRWDZBQOSA-N 1 1 291.435 3.519 10 0 CHAEMO CCCC[C@H](CC)C[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC ZINC000083511165 178537991 /nfs/dbraw/zinc/53/79/91/178537991.db2.gz GOXMTZRXJABSHL-YESZJQIVSA-N 1 1 268.489 3.911 10 0 CHAEMO O=Cc1c[nH+]c2ccccc2c1N(CC1CC1)CC1CC1 ZINC000090669462 180020234 /nfs/dbraw/zinc/02/02/34/180020234.db2.gz OJIVJYFCRDZATG-UHFFFAOYSA-N 1 1 280.371 3.674 10 0 CHAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3c2)cn1 ZINC000171413467 335065292 /nfs/dbraw/zinc/06/52/92/335065292.db2.gz BSKKVZRJQGMWQP-IBGZPJMESA-N 1 1 291.398 3.910 10 0 CHAEMO OC1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000007777675 170301551 /nfs/dbraw/zinc/30/15/51/170301551.db2.gz JLNBOSYEXAMBTH-UHFFFAOYSA-N 1 1 276.767 3.604 10 0 CHAEMO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129351 171016908 /nfs/dbraw/zinc/01/69/08/171016908.db2.gz CTMBNTJVHVHCCU-DZGCQCFKSA-N 1 1 274.433 3.702 10 0 CHAEMO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1F ZINC000020129353 171016993 /nfs/dbraw/zinc/01/69/93/171016993.db2.gz CAMYMHRMZJKSBW-KSSFIOAISA-N 1 1 286.394 3.779 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)o1 ZINC000020129380 171017307 /nfs/dbraw/zinc/01/73/07/171017307.db2.gz QLXXLFYRPMZDCK-GDBMZVCRSA-N 1 1 272.392 3.542 10 0 CHAEMO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccc(F)c1 ZINC000020129415 171018295 /nfs/dbraw/zinc/01/82/95/171018295.db2.gz PJAKJJLRVNLEOH-KBXCAEBGSA-N 1 1 286.394 3.779 10 0 CHAEMO CSc1ccc([C@H](C)NC[C@H](C(C)C)[NH+](C)C)cc1 ZINC000020145888 171031927 /nfs/dbraw/zinc/03/19/27/171031927.db2.gz NBCQWWKQMMWASR-XJKSGUPXSA-N 1 1 280.481 3.645 10 0 CHAEMO CCOc1ccc([C@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020226257 171091869 /nfs/dbraw/zinc/09/18/69/171091869.db2.gz RZOJSLJENHCKIX-SFHVURJKSA-N 1 1 290.451 3.597 10 0 CHAEMO CCOc1ccc([C@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020226257 171091870 /nfs/dbraw/zinc/09/18/70/171091870.db2.gz RZOJSLJENHCKIX-SFHVURJKSA-N 1 1 290.451 3.597 10 0 CHAEMO Cc1ccc2cc([C@H]([NH3+])c3ccc(F)cc3)oc2c1 ZINC000020389294 171178001 /nfs/dbraw/zinc/17/80/01/171178001.db2.gz HHOWTSFHEFLEFS-MRXNPFEDSA-N 1 1 255.292 3.928 10 0 CHAEMO CCCCN(CCCC)[C@@H](C[NH3+])c1cccs1 ZINC000020484837 171224504 /nfs/dbraw/zinc/22/45/04/171224504.db2.gz GETOCYUNYOFTCU-ZDUSSCGKSA-N 1 1 254.443 3.650 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@](CN)([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552830 171248039 /nfs/dbraw/zinc/24/80/39/171248039.db2.gz LNLOQXIKTZDOKA-DNVCBOLYSA-N 1 1 286.463 3.588 10 0 CHAEMO C[C@@H]1CC(C)(C)C[C@](CN)([N@H+]2CCc3ccccc3C2)C1 ZINC000020552830 171248040 /nfs/dbraw/zinc/24/80/40/171248040.db2.gz LNLOQXIKTZDOKA-DNVCBOLYSA-N 1 1 286.463 3.588 10 0 CHAEMO CCC[C@H](NC[C@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000020564571 171253538 /nfs/dbraw/zinc/25/35/38/171253538.db2.gz FJQQWVGIODCIIV-DLBZAZTESA-N 1 1 262.441 3.704 10 0 CHAEMO CC1CCN(C[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)CC1 ZINC000021030344 171291730 /nfs/dbraw/zinc/29/17/30/171291730.db2.gz NOQAVMWIYQDZJE-KRWDZBQOSA-N 1 1 274.452 3.716 10 0 CHAEMO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1N1CCCCCC1 ZINC000021039140 171292992 /nfs/dbraw/zinc/29/29/92/171292992.db2.gz HRTQGENBYQAFPX-KURKYZTESA-N 1 1 272.436 3.526 10 0 CHAEMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](N)c2ccc(C(C)(C)C)cc2)C1 ZINC000021059837 171296822 /nfs/dbraw/zinc/29/68/22/171296822.db2.gz CTQANEYRCWMJON-RVKKMQEKSA-N 1 1 288.479 3.962 10 0 CHAEMO N[C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCC1 ZINC000021511247 171310339 /nfs/dbraw/zinc/31/03/39/171310339.db2.gz RJUMBKUDPZXRPG-HOTGVXAUSA-N 1 1 252.446 3.693 10 0 CHAEMO Cc1cc([C@H](C)NC[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC000021809139 171328675 /nfs/dbraw/zinc/32/86/75/171328675.db2.gz WAOLXFDUXPAZQC-SWLSCSKDSA-N 1 1 268.470 3.602 10 0 CHAEMO Fc1ccc(-c2nc(C[NH2+]Cc3ccncc3)cs2)cc1 ZINC000035163448 172024987 /nfs/dbraw/zinc/02/49/87/172024987.db2.gz HIJXPGGMLOBWKY-UHFFFAOYSA-N 1 1 299.374 3.634 10 0 CHAEMO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000035206601 172050667 /nfs/dbraw/zinc/05/06/67/172050667.db2.gz PSJJPWLLDPPLMW-OALUTQOASA-N 1 1 282.431 3.843 10 0 CHAEMO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@@H+](C)C1CCCCC1 ZINC000035219785 172061106 /nfs/dbraw/zinc/06/11/06/172061106.db2.gz YCXBKAJKCLKQHJ-MSOLQXFVSA-N 1 1 274.452 3.976 10 0 CHAEMO CC(C)[C@H](CN[C@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000035286239 172104709 /nfs/dbraw/zinc/10/47/09/172104709.db2.gz ICXIZNFRECTXCQ-MNOVXSKESA-N 1 1 274.861 3.638 10 0 CHAEMO CC[NH2+][C@@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035544513 172253126 /nfs/dbraw/zinc/25/31/26/172253126.db2.gz NOJMLJQFZLNLOX-ZDUSSCGKSA-N 1 1 271.307 3.864 10 0 CHAEMO CC(C)C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](CC(C)C)CN1 ZINC000035565305 172264725 /nfs/dbraw/zinc/26/47/25/172264725.db2.gz LEAGHBKQXMGUNR-OALUTQOASA-N 1 1 288.479 3.921 10 0 CHAEMO CC(C)C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](CC(C)C)CN1 ZINC000035565305 172264729 /nfs/dbraw/zinc/26/47/29/172264729.db2.gz LEAGHBKQXMGUNR-OALUTQOASA-N 1 1 288.479 3.921 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@H+](C)Cc1ccsc1 ZINC000035719086 172372791 /nfs/dbraw/zinc/37/27/91/172372791.db2.gz YOYREZVYFDPOHB-UKRRQHHQSA-N 1 1 268.470 3.724 10 0 CHAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](C)Cc1ccsc1 ZINC000035719086 172372792 /nfs/dbraw/zinc/37/27/92/172372792.db2.gz YOYREZVYFDPOHB-UKRRQHHQSA-N 1 1 268.470 3.724 10 0 CHAEMO C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H]1CCCO1 ZINC000035736206 172389101 /nfs/dbraw/zinc/38/91/01/172389101.db2.gz CMUMDHCDYVYCCW-MEBBXXQBSA-N 1 1 276.767 3.868 10 0 CHAEMO CC[C@@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(C)c(C)c1 ZINC000037180040 173013214 /nfs/dbraw/zinc/01/32/14/173013214.db2.gz VBBBHXLRNBNTOG-SJORKVTESA-N 1 1 260.425 3.568 10 0 CHAEMO CC[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180040 173013216 /nfs/dbraw/zinc/01/32/16/173013216.db2.gz VBBBHXLRNBNTOG-SJORKVTESA-N 1 1 260.425 3.568 10 0 CHAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccc(C)cc2)C1 ZINC000037210396 173033058 /nfs/dbraw/zinc/03/30/58/173033058.db2.gz ABVWTMGXSASZGX-CVEARBPZSA-N 1 1 260.425 3.917 10 0 CHAEMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037336396 173137848 /nfs/dbraw/zinc/13/78/48/173137848.db2.gz UKCOHARWPKPMGA-HNNXBMFYSA-N 1 1 261.409 3.853 10 0 CHAEMO CCCc1ccc(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037339085 173140768 /nfs/dbraw/zinc/14/07/68/173140768.db2.gz POYDJILYABERIQ-AWEZNQCLSA-N 1 1 261.409 3.798 10 0 CHAEMO CC[C@H](C(=O)c1ccccc1)n1cc[nH+]c1C(C)C ZINC000037340463 173142203 /nfs/dbraw/zinc/14/22/03/173142203.db2.gz BQQRBNMAIMXXTK-CQSZACIVSA-N 1 1 256.349 3.841 10 0 CHAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037415114 173191883 /nfs/dbraw/zinc/19/18/83/173191883.db2.gz WHAFNUJHUVLQOX-MNOVXSKESA-N 1 1 269.335 3.656 10 0 CHAEMO Cc1cc(C)c([C@H](C)NC[C@H](C)[NH+]2CCCCC2)c(C)n1 ZINC000038029111 174019220 /nfs/dbraw/zinc/01/92/20/174019220.db2.gz WSDJASGNWUBRFU-HOTGVXAUSA-N 1 1 289.467 3.532 10 0 CHAEMO CCCCCC[C@](C)([NH2+][C@@H](C)CC)C(=O)OCC ZINC000038067936 174080022 /nfs/dbraw/zinc/08/00/22/174080022.db2.gz FOUWBTDIIWOUGG-ZFWWWQNUSA-N 1 1 257.418 3.667 10 0 CHAEMO CCCOc1ccc([C@@H](C[NH3+])N(CCC)CCC)cc1 ZINC000039789135 174173398 /nfs/dbraw/zinc/17/33/98/174173398.db2.gz ODKCYEIUJTYGIX-QGZVFWFLSA-N 1 1 278.440 3.597 10 0 CHAEMO Cc1nc(C)c([C@@H](C)Nc2[nH]c3ccccc3[nH+]2)s1 ZINC000040518940 174308555 /nfs/dbraw/zinc/30/85/55/174308555.db2.gz NHLQWPCLQBNFJZ-SECBINFHSA-N 1 1 272.377 3.809 10 0 CHAEMO CC[N@H+](Cc1cc(Br)cs1)CC(C)C ZINC000043686994 175094413 /nfs/dbraw/zinc/09/44/13/175094413.db2.gz ZNHSFJOGGFEHKG-UHFFFAOYSA-N 1 1 276.243 3.989 10 0 CHAEMO CCCc1ccc([C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113901 175141094 /nfs/dbraw/zinc/14/10/94/175141094.db2.gz UZRXQSCXKBBWCB-RVKKMQEKSA-N 1 1 275.436 3.650 10 0 CHAEMO CCc1ccc([C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000044120658 175142987 /nfs/dbraw/zinc/14/29/87/175142987.db2.gz KZGALZMSXJTWJP-QGZVFWFLSA-N 1 1 261.409 3.547 10 0 CHAEMO CCC[N@H+]([C@H]1CCNC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314688 176121317 /nfs/dbraw/zinc/12/13/17/176121317.db2.gz SGUIUQVQYZSHSL-HRCADAONSA-N 1 1 266.473 3.665 10 0 CHAEMO CCC[N@@H+]([C@H]1CCNC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314688 176121319 /nfs/dbraw/zinc/12/13/19/176121319.db2.gz SGUIUQVQYZSHSL-HRCADAONSA-N 1 1 266.473 3.665 10 0 CHAEMO C[N@@H+](CCNc1nccc2sccc21)C1CCCC1 ZINC000071377603 176142640 /nfs/dbraw/zinc/14/26/40/176142640.db2.gz AUVWGBMVZZDVTL-UHFFFAOYSA-N 1 1 275.421 3.583 10 0 CHAEMO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2COc3ccccc32)o1 ZINC000070070222 260151368 /nfs/dbraw/zinc/15/13/68/260151368.db2.gz YNCOSWVPXLTNBB-NILFDRSVSA-N 1 1 269.344 3.626 10 0 CHAEMO CCn1cccc1C[NH2+][C@H](C)c1c(F)cccc1F ZINC000091025514 260265215 /nfs/dbraw/zinc/26/52/15/260265215.db2.gz VDUQLWMOLUAQNE-LLVKDONJSA-N 1 1 264.319 3.637 10 0 CHAEMO Fc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c1Br ZINC000449036751 261117397 /nfs/dbraw/zinc/11/73/97/261117397.db2.gz VJQISOWFPYCNDK-JOYOIKCWSA-N 1 1 284.172 3.573 10 0 CHAEMO Fc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]32)c1Br ZINC000449036751 261117398 /nfs/dbraw/zinc/11/73/98/261117398.db2.gz VJQISOWFPYCNDK-JOYOIKCWSA-N 1 1 284.172 3.573 10 0 CHAEMO CCc1csc([C@@H]2CCCN(c3cccc(C)[nH+]3)C2)n1 ZINC000157322713 261144209 /nfs/dbraw/zinc/14/42/09/261144209.db2.gz YKGQUULRAYFRAU-CYBMUJFWSA-N 1 1 287.432 3.793 10 0 CHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106219817 261323342 /nfs/dbraw/zinc/32/33/42/261323342.db2.gz KRVVOBVQZSZCAN-WMLDXEAASA-N 1 1 287.382 3.729 10 0 CHAEMO c1ccc(C[N@@H+]2CCCC[C@@H]2CNc2ccccn2)cc1 ZINC000301126443 261330452 /nfs/dbraw/zinc/33/04/52/261330452.db2.gz ZCBKQFLMALAFPG-QGZVFWFLSA-N 1 1 281.403 3.548 10 0 CHAEMO CC(C)(C)SCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311733373 262339772 /nfs/dbraw/zinc/33/97/72/262339772.db2.gz PALOGSVXZLVWGP-ZNMIVQPWSA-N 1 1 285.497 3.534 10 0 CHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cccc(Cl)c1F)CC2 ZINC000093586024 265188005 /nfs/dbraw/zinc/18/80/05/265188005.db2.gz AEZIEECRMWVNBU-CJNGLKHVSA-N 1 1 297.801 3.606 10 0 CHAEMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1C ZINC000116290348 267135731 /nfs/dbraw/zinc/13/57/31/267135731.db2.gz MFNUREJAMCWNRC-MRXNPFEDSA-N 1 1 298.386 3.672 10 0 CHAEMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c1C ZINC000116290348 267135733 /nfs/dbraw/zinc/13/57/33/267135733.db2.gz MFNUREJAMCWNRC-MRXNPFEDSA-N 1 1 298.386 3.672 10 0 CHAEMO c1cnn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccco3)cc2)c1 ZINC000116289747 267136885 /nfs/dbraw/zinc/13/68/85/267136885.db2.gz CQQGRBAXFAUZQO-KRWDZBQOSA-N 1 1 293.370 3.802 10 0 CHAEMO COc1ccc(CC[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116292837 267137264 /nfs/dbraw/zinc/13/72/64/267137264.db2.gz CCVJVIPOZUMERQ-INIZCTEOSA-N 1 1 271.360 3.668 10 0 CHAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)c1 ZINC000116295212 267137402 /nfs/dbraw/zinc/13/74/02/267137402.db2.gz LSOWLQVGXOJLBX-KRWDZBQOSA-N 1 1 293.370 3.802 10 0 CHAEMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000123213980 268015459 /nfs/dbraw/zinc/01/54/59/268015459.db2.gz PIKRXFGALYVOKM-MRXNPFEDSA-N 1 1 285.343 3.542 10 0 CHAEMO C[NH+](C)C[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000093093299 327104550 /nfs/dbraw/zinc/10/45/50/327104550.db2.gz FFBIGGFLQFMEEO-OAHLLOKOSA-N 1 1 294.851 3.794 10 0 CHAEMO C[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc(F)c(Cl)c1 ZINC000152344216 327559954 /nfs/dbraw/zinc/55/99/54/327559954.db2.gz HHSIGDFUNNEJMV-NXEZZACHSA-N 1 1 279.746 3.681 10 0 CHAEMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)ccc1C ZINC000193938335 329064176 /nfs/dbraw/zinc/06/41/76/329064176.db2.gz WHLKJIPPBUVXRX-OAHLLOKOSA-N 1 1 271.360 3.934 10 0 CHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC000171529356 329077126 /nfs/dbraw/zinc/07/71/26/329077126.db2.gz ORGHWUNYYCGYQW-INIZCTEOSA-N 1 1 289.810 3.682 10 0 CHAEMO CCc1ccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000172247962 329084191 /nfs/dbraw/zinc/08/41/91/329084191.db2.gz ANHSXURMPXJXNV-SFHVURJKSA-N 1 1 297.446 3.936 10 0 CHAEMO CCn1c(C)nnc1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000174172578 329155079 /nfs/dbraw/zinc/15/50/79/329155079.db2.gz UGZSPNCMNSODCS-UHFFFAOYSA-N 1 1 290.455 3.543 10 0 CHAEMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593450 329220965 /nfs/dbraw/zinc/22/09/65/329220965.db2.gz IDQYUQCUJNIMHD-ZIAGYGMSSA-N 1 1 294.464 3.621 10 0 CHAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593450 329220966 /nfs/dbraw/zinc/22/09/66/329220966.db2.gz IDQYUQCUJNIMHD-ZIAGYGMSSA-N 1 1 294.464 3.621 10 0 CHAEMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411283 329236583 /nfs/dbraw/zinc/23/65/83/329236583.db2.gz YXHRTZRHWIJDNO-BEFAXECRSA-N 1 1 289.382 3.917 10 0 CHAEMO CC/C=C/CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000184494315 329260752 /nfs/dbraw/zinc/26/07/52/329260752.db2.gz 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C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(CN)CCCCCCC1 ZINC000050563945 525640729 /nfs/dbraw/zinc/64/07/29/525640729.db2.gz QPJVUZLYGCCZSY-LSDHHAIUSA-N 1 1 252.446 3.549 10 0 CHAEMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)o1 ZINC000036960085 525750411 /nfs/dbraw/zinc/75/04/11/525750411.db2.gz GRPXSKLBZQJRRQ-OCCSQVGLSA-N 1 1 257.333 3.762 10 0 CHAEMO C[C@@]([NH3+])(c1nc2cc(Cl)ccc2o1)c1ccccc1 ZINC000052879502 525751479 /nfs/dbraw/zinc/75/14/79/525751479.db2.gz CWQDMNDARBINFB-HNNXBMFYSA-N 1 1 272.735 3.703 10 0 CHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)o1 ZINC000062706465 525928137 /nfs/dbraw/zinc/92/81/37/525928137.db2.gz BPCRIBSAKFVGRV-VIFPVBQESA-N 1 1 269.266 3.856 10 0 CHAEMO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249554280 526101903 /nfs/dbraw/zinc/10/19/03/526101903.db2.gz JEIOLDKQGVTXDB-COXVUDFISA-N 1 1 287.428 3.517 10 0 CHAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443193 526256168 /nfs/dbraw/zinc/25/61/68/526256168.db2.gz UPURDWRUOICJRC-NHYWBVRUSA-N 1 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